NP-MRD: Showing NP-Card for garcimultiflorone D (NP0039682)

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Record Information

Version

2.0

Created at

2021-06-20 22:02:34 UTC

Updated at

2021-06-30 00:13:09 UTC

NP-MRD ID

NP0039682

Secondary Accession Numbers

None

Natural Product Identification

Common Name

garcimultiflorone D

Provided By

JEOL Database JEOL Logo

Description

garcimultiflorone D is found in Garcinia multiflora. garcimultiflorone D was first documented in 2010 (Liu, X., et al.).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306212100023D          

 97 99  0  0  0  0            999 V2000
    0.7424   -5.7542   -1.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1537   -5.0004   -0.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1272   -5.5491    0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6492   -3.5610   -0.6887 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7991   -2.5304   -0.5860 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7402   -2.5485   -1.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858   -2.4788   -1.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8699   -2.5434   -3.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9352   -2.3344   -0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910   -3.5257    0.4747 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9854   -2.1625    0.9622 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1876   -2.4524    1.8995 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0243   -1.2169    2.3549 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4326   -0.5813    3.6491 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4813   -0.0628    4.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5291    1.1376    5.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6695    1.4770    6.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5100    2.2367    5.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3545   -0.2342    1.1420 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9480    1.1017    1.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5149   -0.9069    0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0957    0.0046    0.1837 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4362    0.8220   -1.1080 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2599    0.9795   -2.1057 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0329    2.4055   -2.6521 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0373    2.3582   -3.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3010    3.0552   -3.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5007    3.2394   -1.6215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884    0.7906    0.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0261    2.0219    0.9438 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1136    0.0545    1.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    0.7584    2.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108    0.2553    3.3235 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7550    2.0370    1.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9616    2.2500    0.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670    3.4730   -0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7851    4.4593    0.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2706    5.6782    0.5183 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6162    4.2288    2.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9456    5.2018    3.1658 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1088    3.0238    2.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0391   -1.2925    1.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052   -2.0278    2.4836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5859   -1.3761   -0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7399   -1.8438   -1.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0416   -5.3745   -2.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0952   -6.7715   -2.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076   -5.5146    1.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3823   -6.5942   -0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619   -4.9814    0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034   -3.3050   -1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3331   -2.6760    0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3732   -1.5224   -0.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -2.6338   -2.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2242   -2.6600   -3.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5591   -3.3940   -3.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4520   -1.6260   -3.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -3.2373   -0.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3580   -2.1603    0.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6152   -1.4827   -0.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238   -4.0460    1.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2304   -4.1603    0.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8536   -3.0222    2.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8800   -3.1254    1.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9841   -1.6507    2.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202    0.2001    3.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8739   -1.3426    4.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.7766    4.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2921    1.6838    7.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3987    0.6638    6.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1999    2.3636    5.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6480    1.9640    4.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1258    2.5178    6.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9714    3.1201    4.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2253    1.6944    2.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3013    1.7262    0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8166    0.9260    2.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9070   -0.2502   -0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3629   -1.1362    0.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2093   -1.8455   -0.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8127    1.8059   -0.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2501    0.3400   -1.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3252    0.6391   -1.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4486    0.3035   -2.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    1.9407   -3.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2854    1.7536   -4.6037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2757    3.3662   -4.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0710    4.0273   -3.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0321    3.2635   -2.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7736    2.4263   -3.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9926    3.0962   -0.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7273    1.4835   -0.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    3.6341   -1.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2367    5.7207   -0.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2682    5.9448    2.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9827    2.8631    3.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4338   -1.4194    3.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
 39 37  2  0  0  0  0
 44 22  1  0  0  0  0
 37 36  1  0  0  0  0
 29 31  1  0  0  0  0
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 29 30  2  0  0  0  0
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 17 16  1  0  0  0  0
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M  END

     RDKit          3D

 97 99  0  0  0  0  0  0  0  0999 V2000
    0.7424   -5.7542   -1.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1537   -5.0004   -0.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1272   -5.5491    0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6492   -3.5610   -0.6887 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7991   -2.5304   -0.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7402   -2.5485   -1.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858   -2.4788   -1.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8699   -2.5434   -3.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9352   -2.3344   -0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910   -3.5257    0.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9854   -2.1625    0.9622 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -3.0243   -1.2169    2.3549 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4326   -0.5813    3.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4813   -0.0628    4.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5291    1.1376    5.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9480    1.1017    1.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9456    5.2018    3.1658 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1088    3.0238    2.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0391   -1.2925    1.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052   -2.0278    2.4836 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7399   -1.8438   -1.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0416   -5.3745   -2.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0952   -6.7715   -2.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076   -5.5146    1.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3823   -6.5942   -0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619   -4.9814    0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652306212100023D          

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  8 55  1  0  0  0  0
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  9 60  1  0  0  0  0
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 20 75  1  0  0  0  0
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 27 88  1  0  0  0  0
 27 89  1  0  0  0  0
 27 90  1  0  0  0  0
 28 91  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0039682

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C(=O)C1=C(O[H])[C@@]2(C(=O)[C@@](C1=O)(C([H])([H])C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C2([H])[H])C([H])([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C38H52O7/c1-22(2)11-13-26(24(5)6)20-37-21-27(15-12-23(3)4)36(9,10)38(34(37)44,18-17-35(7,8)45)33(43)30(32(37)42)31(41)25-14-16-28(39)29(40)19-25/h11-12,14,16,19,26-27,39-40,42,45H,5,13,15,17-18,20-21H2,1-4,6-10H3/t26-,27-,37-,38+/m1/s1

> <INCHI_KEY>
BWJVAZLOCUCVOO-DDFNXOHMSA-N

> <FORMULA>
C38H52O7

> <MOLECULAR_WEIGHT>
620.827

> <EXACT_MASS>
620.371304014

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
69.71095715250195

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,5R,7R)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-1-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-5-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-7-(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

> <ALOGPS_LOGP>
5.53

> <JCHEM_LOGP>
8.075168226666667

> <ALOGPS_LOGS>
-5.58

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.01994770492243

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.4818543075148316

> <JCHEM_PKA_STRONGEST_BASIC>
-1.2543598310401856

> <JCHEM_POLAR_SURFACE_AREA>
132.13

> <JCHEM_REFRACTIVITY>
181.5701

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.62e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
garcimultiflorone D

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

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  6  7  2  3
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 10 62  1  0
 43 97  1  0
 41 96  1  0
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 40 95  1  0
 38 94  1  0
  4 51  1  6
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  5 53  1  0
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 27 89  1  0
 27 90  1  0
 28 91  1  0
M  END

HEADER    PROTEIN                                 21-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-JUN-21         0                                  
HETATM    1  C   UNK     0       0.742  -5.754  -1.902  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.154  -5.000  -0.867  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.127  -5.549   0.143  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.649  -3.561  -0.689  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.799  -2.530  -0.586  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.740  -2.549  -1.767  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.086  -2.479  -1.751  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.870  -2.543  -3.036  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.935  -2.334  -0.518  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.391  -3.526   0.475  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.985  -2.163   0.962  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.188  -2.452   1.900  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.024  -1.217   2.355  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.433  -0.581   3.649  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.481  -0.063   4.601  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.529   1.138   5.213  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.670   1.477   6.139  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.510   2.237   5.074  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.354  -0.234   1.142  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.948   1.102   1.646  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.515  -0.907   0.339  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.096   0.005   0.184  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.436   0.822  -1.108  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.260   0.980  -2.106  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.033   2.406  -2.652  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.037   2.358  -3.750  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.301   3.055  -3.207  0.00  0.00           C+0
HETATM   28  O   UNK     0      -0.501   3.239  -1.621  0.00  0.00           O+0
HETATM   29  C   UNK     0      -0.988   0.791   0.899  0.00  0.00           C+0
HETATM   30  O   UNK     0      -1.026   2.022   0.944  0.00  0.00           O+0
HETATM   31  C   UNK     0       0.114   0.055   1.587  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.216   0.758   2.314  0.00  0.00           C+0
HETATM   33  O   UNK     0       1.711   0.255   3.324  0.00  0.00           O+0
HETATM   34  C   UNK     0       1.755   2.037   1.802  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.962   2.250   0.430  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.467   3.473  -0.023  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.785   4.459   0.902  0.00  0.00           C+0
HETATM   38  O   UNK     0       3.271   5.678   0.518  0.00  0.00           O+0
HETATM   39  C   UNK     0       2.616   4.229   2.266  0.00  0.00           C+0
HETATM   40  O   UNK     0       2.946   5.202   3.166  0.00  0.00           O+0
HETATM   41  C   UNK     0       2.109   3.024   2.728  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.039  -1.293   1.680  0.00  0.00           C+0
HETATM   43  O   UNK     0       0.905  -2.028   2.484  0.00  0.00           O+0
HETATM   44  C   UNK     0      -1.586  -1.376  -0.194  0.00  0.00           C+0
HETATM   45  O   UNK     0      -1.740  -1.844  -1.320  0.00  0.00           O+0
HETATM   46  H   UNK     0       0.042  -5.375  -2.640  0.00  0.00           H+0
HETATM   47  H   UNK     0       1.095  -6.771  -2.042  0.00  0.00           H+0
HETATM   48  H   UNK     0       1.708  -5.515   1.152  0.00  0.00           H+0
HETATM   49  H   UNK     0       2.382  -6.594  -0.065  0.00  0.00           H+0
HETATM   50  H   UNK     0       3.062  -4.981   0.135  0.00  0.00           H+0
HETATM   51  H   UNK     0       0.103  -3.305  -1.606  0.00  0.00           H+0
HETATM   52  H   UNK     0       2.333  -2.676   0.356  0.00  0.00           H+0
HETATM   53  H   UNK     0       1.373  -1.522  -0.574  0.00  0.00           H+0
HETATM   54  H   UNK     0       2.241  -2.634  -2.733  0.00  0.00           H+0
HETATM   55  H   UNK     0       4.224  -2.660  -3.912  0.00  0.00           H+0
HETATM   56  H   UNK     0       5.559  -3.394  -3.016  0.00  0.00           H+0
HETATM   57  H   UNK     0       5.452  -1.626  -3.172  0.00  0.00           H+0
HETATM   58  H   UNK     0       5.536  -3.237  -0.368  0.00  0.00           H+0
HETATM   59  H   UNK     0       4.358  -2.160   0.392  0.00  0.00           H+0
HETATM   60  H   UNK     0       5.615  -1.483  -0.629  0.00  0.00           H+0
HETATM   61  H   UNK     0       0.024  -4.046   1.348  0.00  0.00           H+0
HETATM   62  H   UNK     0      -1.230  -4.160   0.151  0.00  0.00           H+0
HETATM   63  H   UNK     0      -1.854  -3.022   2.777  0.00  0.00           H+0
HETATM   64  H   UNK     0      -2.880  -3.125   1.373  0.00  0.00           H+0
HETATM   65  H   UNK     0      -3.984  -1.651   2.676  0.00  0.00           H+0
HETATM   66  H   UNK     0      -1.720   0.200   3.402  0.00  0.00           H+0
HETATM   67  H   UNK     0      -1.874  -1.343   4.208  0.00  0.00           H+0
HETATM   68  H   UNK     0      -4.276  -0.777   4.822  0.00  0.00           H+0
HETATM   69  H   UNK     0      -4.292   1.684   7.146  0.00  0.00           H+0
HETATM   70  H   UNK     0      -5.399   0.664   6.218  0.00  0.00           H+0
HETATM   71  H   UNK     0      -5.200   2.364   5.776  0.00  0.00           H+0
HETATM   72  H   UNK     0      -1.648   1.964   4.463  0.00  0.00           H+0
HETATM   73  H   UNK     0      -2.126   2.518   6.061  0.00  0.00           H+0
HETATM   74  H   UNK     0      -2.971   3.120   4.621  0.00  0.00           H+0
HETATM   75  H   UNK     0      -3.225   1.694   2.211  0.00  0.00           H+0
HETATM   76  H   UNK     0      -4.301   1.726   0.819  0.00  0.00           H+0
HETATM   77  H   UNK     0      -4.817   0.926   2.291  0.00  0.00           H+0
HETATM   78  H   UNK     0      -4.907  -0.250  -0.444  0.00  0.00           H+0
HETATM   79  H   UNK     0      -5.363  -1.136   0.996  0.00  0.00           H+0
HETATM   80  H   UNK     0      -4.209  -1.845  -0.132  0.00  0.00           H+0
HETATM   81  H   UNK     0      -2.813   1.806  -0.815  0.00  0.00           H+0
HETATM   82  H   UNK     0      -3.250   0.340  -1.661  0.00  0.00           H+0
HETATM   83  H   UNK     0      -0.325   0.639  -1.645  0.00  0.00           H+0
HETATM   84  H   UNK     0      -1.449   0.304  -2.950  0.00  0.00           H+0
HETATM   85  H   UNK     0       0.974   1.941  -3.363  0.00  0.00           H+0
HETATM   86  H   UNK     0      -0.285   1.754  -4.604  0.00  0.00           H+0
HETATM   87  H   UNK     0       0.276   3.366  -4.109  0.00  0.00           H+0
HETATM   88  H   UNK     0      -2.071   4.027  -3.659  0.00  0.00           H+0
HETATM   89  H   UNK     0      -3.032   3.264  -2.420  0.00  0.00           H+0
HETATM   90  H   UNK     0      -2.774   2.426  -3.968  0.00  0.00           H+0
HETATM   91  H   UNK     0      -0.993   3.096  -0.788  0.00  0.00           H+0
HETATM   92  H   UNK     0       1.727   1.484  -0.304  0.00  0.00           H+0
HETATM   93  H   UNK     0       2.590   3.634  -1.090  0.00  0.00           H+0
HETATM   94  H   UNK     0       3.237   5.721  -0.454  0.00  0.00           H+0
HETATM   95  H   UNK     0       3.268   5.945   2.617  0.00  0.00           H+0
HETATM   96  H   UNK     0       1.983   2.863   3.795  0.00  0.00           H+0
HETATM   97  H   UNK     0       1.434  -1.419   3.054  0.00  0.00           H+0
CONECT    1    2   46   47                                                  
CONECT    2    4    1    3                                                  
CONECT    3    2   48   49   50                                             
CONECT    4   10    2    5   51                                             
CONECT    5    4    6   52   53                                             
CONECT    6    5    7   54                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7   55   56   57                                             
CONECT    9    7   58   59   60                                             
CONECT   10    4   11   61   62                                             
CONECT   11   10   12   42   44                                             
CONECT   12   11   13   63   64                                             
CONECT   13   14   19   12   65                                             
CONECT   14   15   13   66   67                                             
CONECT   15   14   16   68                                                  
CONECT   16   17   18   15                                                  
CONECT   17   16   69   70   71                                             
CONECT   18   16   72   73   74                                             
CONECT   19   22   13   20   21                                             
CONECT   20   19   75   76   77                                             
CONECT   21   19   78   79   80                                             
CONECT   22   44   23   19   29                                             
CONECT   23   22   24   81   82                                             
CONECT   24   23   25   83   84                                             
CONECT   25   24   26   27   28                                             
CONECT   26   25   85   86   87                                             
CONECT   27   25   88   89   90                                             
CONECT   28   25   91                                                       
CONECT   29   31   30   22                                                  
CONECT   30   29                                                            
CONECT   31   29   32   42                                                  
CONECT   32   31   34   33                                                  
CONECT   33   32                                                            
CONECT   34   35   32   41                                                  
CONECT   35   36   34   92                                                  
CONECT   36   37   35   93                                                  
CONECT   37   39   36   38                                                  
CONECT   38   37   94                                                       
CONECT   39   37   40   41                                                  
CONECT   40   39   95                                                       
CONECT   41   34   39   96                                                  
CONECT   42   43   31   11                                                  
CONECT   43   42   97                                                       
CONECT   44   22   45   11                                                  
CONECT   45   44                                                            
CONECT   46    1                                                            
CONECT   47    1                                                            
CONECT   48    3                                                            
CONECT   49    3                                                            
CONECT   50    3                                                            
CONECT   51    4                                                            
CONECT   52    5                                                            
CONECT   53    5                                                            
CONECT   54    6                                                            
CONECT   55    8                                                            
CONECT   56    8                                                            
CONECT   57    8                                                            
CONECT   58    9                                                            
CONECT   59    9                                                            
CONECT   60    9                                                            
CONECT   61   10                                                            
CONECT   62   10                                                            
CONECT   63   12                                                            
CONECT   64   12                                                            
CONECT   65   13                                                            
CONECT   66   14                                                            
CONECT   67   14                                                            
CONECT   68   15                                                            
CONECT   69   17                                                            
CONECT   70   17                                                            
CONECT   71   17                                                            
CONECT   72   18                                                            
CONECT   73   18                                                            
CONECT   74   18                                                            
CONECT   75   20                                                            
CONECT   76   20                                                            
CONECT   77   20                                                            
CONECT   78   21                                                            
CONECT   79   21                                                            
CONECT   80   21                                                            
CONECT   81   23                                                            
CONECT   82   23                                                            
CONECT   83   24                                                            
CONECT   84   24                                                            
CONECT   85   26                                                            
CONECT   86   26                                                            
CONECT   87   26                                                            
CONECT   88   27                                                            
CONECT   89   27                                                            
CONECT   90   27                                                            
CONECT   91   28                                                            
CONECT   92   35                                                            
CONECT   93   36                                                            
CONECT   94   38                                                            
CONECT   95   40                                                            
CONECT   96   41                                                            
CONECT   97   43                                                            
MASTER        0    0    0    0    0    0    0    0   97    0  198    0
END

RDKit          3D

97 99  0  0  0  0  0  0  0  0999 V2000
    0.7424   -5.7542   -1.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1537   -5.0004   -0.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1272   -5.5491    0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6492   -3.5610   -0.6887 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7991   -2.5304   -0.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7402   -2.5485   -1.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858   -2.4788   -1.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8699   -2.5434   -3.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9352   -2.3344   -0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910   -3.5257    0.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9854   -2.1625    0.9622 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1876   -2.4524    1.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0243   -1.2169    2.3549 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4326   -0.5813    3.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4813   -0.0628    4.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5291    1.1376    5.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6695    1.4770    6.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5100    2.2367    5.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3545   -0.2342    1.1420 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9480    1.1017    1.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5149   -0.9069    0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0957    0.0046    0.1837 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4362    0.8220   -1.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2599    0.9795   -2.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0329    2.4055   -2.6521 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0373    2.3582   -3.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3010    3.0552   -3.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5007    3.2394   -1.6215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884    0.7906    0.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0261    2.0219    0.9438 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1136    0.0545    1.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    0.7584    2.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108    0.2553    3.3235 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7550    2.0370    1.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9616    2.2500    0.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670    3.4730   -0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7851    4.4593    0.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2706    5.6782    0.5183 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6162    4.2288    2.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9456    5.2018    3.1658 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1088    3.0238    2.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0391   -1.2925    1.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052   -2.0278    2.4836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5859   -1.3761   -0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7399   -1.8438   -1.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0416   -5.3745   -2.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0952   -6.7715   -2.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076   -5.5146    1.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3823   -6.5942   -0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619   -4.9814    0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034   -3.3050   -1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3331   -2.6760    0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3732   -1.5224   -0.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -2.6338   -2.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2242   -2.6600   -3.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5591   -3.3940   -3.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4520   -1.6260   -3.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -3.2373   -0.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3580   -2.1603    0.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6152   -1.4827   -0.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238   -4.0460    1.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2304   -4.1603    0.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8536   -3.0222    2.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8800   -3.1254    1.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9841   -1.6507    2.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202    0.2001    3.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8739   -1.3426    4.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.7766    4.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2921    1.6838    7.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3987    0.6638    6.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1999    2.3636    5.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6480    1.9640    4.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1258    2.5178    6.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9714    3.1201    4.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2253    1.6944    2.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3013    1.7262    0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8166    0.9260    2.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9070   -0.2502   -0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3629   -1.1362    0.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2093   -1.8455   -0.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8127    1.8059   -0.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2501    0.3400   -1.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3252    0.6391   -1.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4486    0.3035   -2.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    1.9407   -3.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2854    1.7536   -4.6037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2757    3.3662   -4.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0710    4.0273   -3.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0321    3.2635   -2.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7736    2.4263   -3.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9926    3.0962   -0.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7273    1.4835   -0.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    3.6341   -1.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2367    5.7207   -0.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2682    5.9448    2.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9827    2.8631    3.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4338   -1.4194    3.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
 39 37  2  0
 44 22  1  0
 37 36  1  0
 29 31  1  0
 36 35  2  0
 35 34  1  0
 29 30  2  0
 39 40  1  0
 17 16  1  0
 37 38  1  0
 44 45  2  0
 10  4  1  0
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M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₅₂O₇

Average Mass

620.8270 Da

Monoisotopic Mass

620.37130 Da

IUPAC Name

(1R,5R,7R)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-1-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-5-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-7-(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

Traditional Name

garcimultiflorone D

CAS Registry Number

Not Available

SMILES

[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C(=O)C1=C(O[H])[C@@]2(C(=O)[C@@](C1=O)(C([H])([H])C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C2([H])[H])C([H])([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C38H52O7/c1-22(2)11-13-26(24(5)6)20-37-21-27(15-12-23(3)4)36(9,10)38(34(37)44,18-17-35(7,8)45)33(43)30(32(37)42)31(41)25-14-16-28(39)29(40)19-25/h11-12,14,16,19,26-27,39-40,42,45H,5,13,15,17-18,20-21H2,1-4,6-10H3/t26-,27-,37-,38+/m1/s1

InChI Key

BWJVAZLOCUCVOO-DDFNXOHMSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Garcinia multiflora	JEOL database	Liu, X., et al, J. Nat. Prod. 73, 1355 (2010)

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	5.53	ALOGPS
logP	8.08	ChemAxon
logS	-5.6	ALOGPS
pKa (Strongest Acidic)	3.48	ChemAxon
pKa (Strongest Basic)	-1.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	132.13 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	181.57 m³·mol⁻¹	ChemAxon
Polarizability	69.71 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

Not Available

References

General References

Liu, X., et al. (2010). Liu, X., et al, J. Nat. Prod. 73, 1355 (2010). J. Nat. Prod..

Showing NP-Card for garcimultiflorone D (NP0039682)

MOL for NP0039682 (garcimultiflorone D)

3D MOL for NP0039682 (garcimultiflorone D)

3D SDF for NP0039682 (garcimultiflorone D)

3D-SDF for NP0039682 (garcimultiflorone D)

PDB for NP0039682 (garcimultiflorone D)

3D PDB for NP0039682 (garcimultiflorone D)

SMILES for NP0039682 (garcimultiflorone D)

INCHI for NP0039682 (garcimultiflorone D)

Structure for NP0039682 (garcimultiflorone D)

3D Structure for NP0039682 (garcimultiflorone D)