NP-MRD: Showing NP-Card for kadcoccilactone P (NP0037752)

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Record Information

Version

2.0

Created at

2021-06-20 20:36:15 UTC

Updated at

2021-06-30 00:10:08 UTC

NP-MRD ID

NP0037752

Secondary Accession Numbers

None

Natural Product Identification

Common Name

kadcoccilactone P

Provided By

JEOL Database JEOL Logo

Description

kadcoccilactone P is found in Kadsura coccinea. kadcoccilactone P was first documented in 2008 (Gao, X.-M., et al.).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306202122363D          

 77 82  0  0  0  0            999 V2000
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M  END

     RDKit          3D

 77 82  0  0  0  0  0  0  0  0999 V2000
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  5 21  1  0
  1  2  2  3
  3  2  1  0
  8  9  1  0
 31 30  1  0
 21 19  1  0
 30 37  1  0
  9 10  1  0
 37 35  1  0
 22 24  1  0
 35 33  1  0
  3  4  1  0
 33 32  2  0
 32 31  1  0
 19 10  1  0
 35 36  2  0
  4  5  1  0
 33 34  1  0
 10 11  1  0
 28 29  1  0
  7 22  1  0
 15 16  2  0
 19 18  1  0
 11 12  1  1
 24 25  1  0
  7 44  1  6
 11 14  1  0
 10 49  1  1
 25 26  1  0
 11 13  1  0
 18 17  2  0
  5  6  1  1
  5  7  1  0
 22 23  1  1
 14 15  1  0
 17 15  1  0
  3 40  1  1
 22  3  1  0
 30 71  1  1
 26 27  1  6
 19 20  1  1
  7  8  1  0
 21 20  1  0
 24 62  1  0
 24 63  1  0
 25 64  1  0
 25 65  1  0
  4 41  1  0
  4 42  1  0
  8 45  1  0
  8 46  1  0
 21 58  1  6
  9 47  1  0
  9 48  1  0
 18 57  1  0
 17 56  1  0
 28 67  1  6
  1 38  1  0
  1 39  1  0
 31 72  1  0
 31 73  1  0
 32 74  1  0
 34 75  1  0
 34 76  1  0
 34 77  1  0
 29 68  1  0
 29 69  1  0
 29 70  1  0
 12 50  1  0
 12 51  1  0
 12 52  1  0
 13 53  1  0
 13 54  1  0
 13 55  1  0
  6 43  1  0
 23 59  1  0
 23 60  1  0
 23 61  1  0
 27 66  1  0
M  END


  Mrv1652306202122363D          

 77 82  0  0  0  0            999 V2000
    0.0281    3.2022   -0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1408    1.8701   -0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0104    1.0232    1.0474 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4212    0.5770    1.3618 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2122   -0.3907    2.5302 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8929    0.3861    3.6872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040   -1.2342    2.0854 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7725   -1.9091    3.2323 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0094   -3.0049    3.9790 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2315   -2.4892    4.7808 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5667   -3.3498    6.0344 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8957   -2.9883    6.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4678   -3.1413    7.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5102   -4.7679    5.7451 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2403   -5.4673    4.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1693   -6.6932    4.8248 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545   -4.8016    3.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -3.5325    3.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348   -2.3388    3.8561 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0863   -1.0578    4.0269 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173   -1.2485    2.7786 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8480   -0.2843    1.1400 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2541    0.0572    1.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9706   -0.9701   -0.2400 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3821   -0.0153   -1.3569 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3866    1.1504   -1.5450 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9008    0.5911   -1.8414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452    2.0713   -2.7499 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1793    2.7929   -2.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9591    1.3366   -4.1257 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1530    2.3087   -5.2952 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0623    1.5648   -6.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3823    0.4121   -6.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2730   -0.3666   -7.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3773   -0.1163   -5.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1349   -1.0719   -5.6327 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238    0.5405   -4.3516 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2289    3.6520    0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0112    3.8885   -0.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3273    1.6624    1.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8853    0.0777    0.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0495    1.4298    1.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7465    0.6427    4.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3846   -2.0562    1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1303   -1.1687    3.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6637   -2.3933    2.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3126   -3.7763    3.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7077   -3.4882    4.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9778   -1.4989    5.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7745   -3.2014    6.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301   -3.5832    7.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9228   -1.9284    6.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3854   -2.0901    7.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5131   -3.4843    6.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6853   -3.7325    8.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8570   -5.5132    3.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0365   -3.3408    2.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0229   -1.3918    1.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9039   -0.8238    1.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2095    0.4670    2.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7470    0.8114    1.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162   -1.4305   -0.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -1.7944   -0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3939    0.3588   -1.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4306   -0.6171   -2.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8848    0.2547   -2.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0556    2.8245   -2.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0329    2.1222   -2.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3082    3.6452   -3.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2482    3.1879   -1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8096    0.6425   -4.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3891    3.0946   -5.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1348    2.7888   -5.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5696    1.9891   -7.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7708   -0.4330   -8.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8430    0.0982   -8.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6613   -1.3811   -7.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 26  1  0  0  0  0
 26 28  1  0  0  0  0
 28 30  1  0  0  0  0
  5 21  1  0  0  0  0
  1  2  2  3  0  0  0
  3  2  1  0  0  0  0
  8  9  1  0  0  0  0
 31 30  1  0  0  0  0
 21 19  1  0  0  0  0
 30 37  1  0  0  0  0
  9 10  1  0  0  0  0
 37 35  1  0  0  0  0
 22 24  1  0  0  0  0
 35 33  1  0  0  0  0
  3  4  1  0  0  0  0
 33 32  2  0  0  0  0
 32 31  1  0  0  0  0
 19 10  1  0  0  0  0
 35 36  2  0  0  0  0
  4  5  1  0  0  0  0
 33 34  1  0  0  0  0
 10 11  1  0  0  0  0
 28 29  1  0  0  0  0
  7 22  1  0  0  0  0
 15 16  2  0  0  0  0
 19 18  1  0  0  0  0
 11 12  1  1  0  0  0
 24 25  1  0  0  0  0
  7 44  1  6  0  0  0
 11 14  1  0  0  0  0
 10 49  1  1  0  0  0
 25 26  1  0  0  0  0
 11 13  1  0  0  0  0
 18 17  2  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
 22 23  1  1  0  0  0
 14 15  1  0  0  0  0
 17 15  1  0  0  0  0
  3 40  1  1  0  0  0
 22  3  1  0  0  0  0
 30 71  1  1  0  0  0
 26 27  1  6  0  0  0
 19 20  1  1  0  0  0
  7  8  1  0  0  0  0
 21 20  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
  4 41  1  0  0  0  0
  4 42  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
 21 58  1  6  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 18 57  1  0  0  0  0
 17 56  1  0  0  0  0
 28 67  1  6  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
 31 72  1  0  0  0  0
 31 73  1  0  0  0  0
 32 74  1  0  0  0  0
 34 75  1  0  0  0  0
 34 76  1  0  0  0  0
 34 77  1  0  0  0  0
 29 68  1  0  0  0  0
 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
 12 50  1  0  0  0  0
 12 51  1  0  0  0  0
 12 52  1  0  0  0  0
 13 53  1  0  0  0  0
 13 54  1  0  0  0  0
 13 55  1  0  0  0  0
  6 43  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 27 66  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0037752

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]12C([H])([H])[C@@]3([H])C(=C([H])[H])[C@@](O[H])(C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]1([H])[C@@]3(O[C@]23[H])C([H])=C([H])C(=O)OC1(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@]1([H])OC(=O)C(=C([H])C1([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C30H40O7/c1-16-7-8-20(35-24(16)32)18(3)28(33)14-13-27(6)19(17(28)2)15-29(34)22(27)10-9-21-26(4,5)36-23(31)11-12-30(21)25(29)37-30/h7,11-12,18-22,25,33-34H,2,8-10,13-15H2,1,3-6H3/t18-,19+,20-,21+,22+,25-,27-,28+,29-,30+/m1/s1

> <INCHI_KEY>
RKMYXEBXNYIKFQ-APZGIULGSA-N

> <FORMULA>
C30H40O7

> <MOLECULAR_WEIGHT>
512.643

> <EXACT_MASS>
512.277403628

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
56.76857721541184

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,4S,10S,13S,14R,17R,19R)-1,17-dihydroxy-9,9,14-trimethyl-17-[(1R)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-18-methylidene-3,8-dioxapentacyclo[11.7.0.0^{2,4}.0^{4,10}.0^{14,19}]icos-5-en-7-one

> <ALOGPS_LOGP>
4.48

> <JCHEM_LOGP>
3.6676488539999994

> <ALOGPS_LOGS>
-5.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.071787387560555

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.356844811832623

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2622957792278964

> <JCHEM_POLAR_SURFACE_AREA>
105.59000000000002

> <JCHEM_REFRACTIVITY>
137.20100000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.71e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,4S,10S,13S,14R,17R,19R)-1,17-dihydroxy-9,9,14-trimethyl-17-[(1R)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-18-methylidene-3,8-dioxapentacyclo[11.7.0.0^{2,4}.0^{4,10}.0^{14,19}]icos-5-en-7-one

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 77 82  0  0  0  0  0  0  0  0999 V2000
    0.0281    3.2022   -0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1408    1.8701   -0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0104    1.0232    1.0474 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4212    0.5770    1.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122   -0.3907    2.5302 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8929    0.3861    3.6872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040   -1.2342    2.0854 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7725   -1.9091    3.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0094   -3.0049    3.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2315   -2.4892    4.7808 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5667   -3.3498    6.0344 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8957   -2.9883    6.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4678   -3.1413    7.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5102   -4.7679    5.7451 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2403   -5.4673    4.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1693   -6.6932    4.8248 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545   -4.8016    3.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -3.5325    3.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348   -2.3388    3.8561 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0863   -1.0578    4.0269 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173   -1.2485    2.7786 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8480   -0.2843    1.1400 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2541    0.0572    1.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9706   -0.9701   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3821   -0.0153   -1.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3866    1.1504   -1.5450 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9008    0.5911   -1.8414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452    2.0713   -2.7499 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1793    2.7929   -2.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9591    1.3366   -4.1257 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1530    2.3087   -5.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0623    1.5648   -6.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3823    0.4121   -6.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2730   -0.3666   -7.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3773   -0.1163   -5.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1349   -1.0719   -5.6327 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2289    3.6520    0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3273    1.6624    1.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8853    0.0777    0.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0495    1.4298    1.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7465    0.6427    4.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3846   -2.0562    1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1303   -1.1687    3.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6637   -2.3933    2.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3126   -3.7763    3.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7077   -3.4882    4.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9778   -1.4989    5.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7745   -3.2014    6.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301   -3.5832    7.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9228   -1.9284    6.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3854   -2.0901    7.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5131   -3.4843    6.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6853   -3.7325    8.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8570   -5.5132    3.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0365   -3.3408    2.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0229   -1.3918    1.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9039   -0.8238    1.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2095    0.4670    2.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7470    0.8114    1.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162   -1.4305   -0.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -1.7944   -0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3939    0.3588   -1.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4306   -0.6171   -2.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8848    0.2547   -2.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0556    2.8245   -2.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0329    2.1222   -2.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3082    3.6452   -3.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2482    3.1879   -1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8096    0.6425   -4.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3891    3.0946   -5.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1348    2.7888   -5.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5696    1.9891   -7.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7708   -0.4330   -8.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8430    0.0982   -8.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6613   -1.3811   -7.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 26  1  0
 26 28  1  0
 28 30  1  0
  5 21  1  0
  1  2  2  3
  3  2  1  0
  8  9  1  0
 31 30  1  0
 21 19  1  0
 30 37  1  0
  9 10  1  0
 37 35  1  0
 22 24  1  0
 35 33  1  0
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 33 32  2  0
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  4  5  1  0
 33 34  1  0
 10 11  1  0
 28 29  1  0
  7 22  1  0
 15 16  2  0
 19 18  1  0
 11 12  1  1
 24 25  1  0
  7 44  1  6
 11 14  1  0
 10 49  1  1
 25 26  1  0
 11 13  1  0
 18 17  2  0
  5  6  1  1
  5  7  1  0
 22 23  1  1
 14 15  1  0
 17 15  1  0
  3 40  1  1
 22  3  1  0
 30 71  1  1
 26 27  1  6
 19 20  1  1
  7  8  1  0
 21 20  1  0
 24 62  1  0
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 25 64  1  0
 25 65  1  0
  4 41  1  0
  4 42  1  0
  8 45  1  0
  8 46  1  0
 21 58  1  6
  9 47  1  0
  9 48  1  0
 18 57  1  0
 17 56  1  0
 28 67  1  6
  1 38  1  0
  1 39  1  0
 31 72  1  0
 31 73  1  0
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 34 75  1  0
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 34 77  1  0
 29 68  1  0
 29 69  1  0
 29 70  1  0
 12 50  1  0
 12 51  1  0
 12 52  1  0
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  6 43  1  0
 23 59  1  0
 23 60  1  0
 23 61  1  0
 27 66  1  0
M  END

HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  C   UNK     0       0.028   3.202  -0.082  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.141   1.870  -0.213  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.010   1.023   1.047  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.421   0.577   1.362  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.212  -0.391   2.530  0.00  0.00           C+0
HETATM    6  O   UNK     0       0.893   0.386   3.687  0.00  0.00           O+0
HETATM    7  C   UNK     0      -0.004  -1.234   2.085  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.773  -1.909   3.232  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.009  -3.005   3.979  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.232  -2.489   4.781  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.567  -3.350   6.034  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.896  -2.988   6.725  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.468  -3.141   7.105  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.510  -4.768   5.745  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.240  -5.467   4.862  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.169  -6.693   4.825  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.155  -4.802   3.927  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.232  -3.533   3.507  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.435  -2.339   3.856  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.086  -1.058   4.027  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.417  -1.248   2.779  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.848  -0.284   1.140  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.254   0.057   1.670  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.971  -0.970  -0.240  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.382  -0.015  -1.357  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.387   1.150  -1.545  0.00  0.00           C+0
HETATM   27  O   UNK     0       0.901   0.591  -1.841  0.00  0.00           O+0
HETATM   28  C   UNK     0      -0.845   2.071  -2.750  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.179   2.793  -2.467  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.959   1.337  -4.126  0.00  0.00           C+0
HETATM   31  C   UNK     0      -1.153   2.309  -5.295  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.062   1.565  -6.588  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.382   0.412  -6.694  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.273  -0.367  -7.967  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.377  -0.116  -5.532  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.135  -1.072  -5.633  0.00  0.00           O+0
HETATM   37  O   UNK     0       0.224   0.541  -4.352  0.00  0.00           O+0
HETATM   38  H   UNK     0       0.229   3.652   0.887  0.00  0.00           H+0
HETATM   39  H   UNK     0       0.011   3.889  -0.920  0.00  0.00           H+0
HETATM   40  H   UNK     0      -0.327   1.662   1.887  0.00  0.00           H+0
HETATM   41  H   UNK     0       1.885   0.078   0.504  0.00  0.00           H+0
HETATM   42  H   UNK     0       2.050   1.430   1.643  0.00  0.00           H+0
HETATM   43  H   UNK     0       1.746   0.643   4.084  0.00  0.00           H+0
HETATM   44  H   UNK     0       0.385  -2.056   1.466  0.00  0.00           H+0
HETATM   45  H   UNK     0      -1.130  -1.169   3.957  0.00  0.00           H+0
HETATM   46  H   UNK     0      -1.664  -2.393   2.814  0.00  0.00           H+0
HETATM   47  H   UNK     0       0.313  -3.776   3.261  0.00  0.00           H+0
HETATM   48  H   UNK     0      -0.708  -3.488   4.650  0.00  0.00           H+0
HETATM   49  H   UNK     0       0.978  -1.499   5.179  0.00  0.00           H+0
HETATM   50  H   UNK     0       3.775  -3.201   6.112  0.00  0.00           H+0
HETATM   51  H   UNK     0       3.030  -3.583   7.636  0.00  0.00           H+0
HETATM   52  H   UNK     0       2.923  -1.928   7.000  0.00  0.00           H+0
HETATM   53  H   UNK     0       0.385  -2.090   7.401  0.00  0.00           H+0
HETATM   54  H   UNK     0      -0.513  -3.484   6.763  0.00  0.00           H+0
HETATM   55  H   UNK     0       0.685  -3.732   8.003  0.00  0.00           H+0
HETATM   56  H   UNK     0       3.857  -5.513   3.494  0.00  0.00           H+0
HETATM   57  H   UNK     0       4.037  -3.341   2.795  0.00  0.00           H+0
HETATM   58  H   UNK     0       3.023  -1.392   1.892  0.00  0.00           H+0
HETATM   59  H   UNK     0      -2.904  -0.824   1.688  0.00  0.00           H+0
HETATM   60  H   UNK     0      -2.209   0.467   2.685  0.00  0.00           H+0
HETATM   61  H   UNK     0      -2.747   0.811   1.047  0.00  0.00           H+0
HETATM   62  H   UNK     0      -0.016  -1.431  -0.527  0.00  0.00           H+0
HETATM   63  H   UNK     0      -1.693  -1.794  -0.183  0.00  0.00           H+0
HETATM   64  H   UNK     0      -2.394   0.359  -1.169  0.00  0.00           H+0
HETATM   65  H   UNK     0      -1.431  -0.617  -2.272  0.00  0.00           H+0
HETATM   66  H   UNK     0       0.885   0.255  -2.757  0.00  0.00           H+0
HETATM   67  H   UNK     0      -0.056   2.825  -2.881  0.00  0.00           H+0
HETATM   68  H   UNK     0      -3.033   2.122  -2.612  0.00  0.00           H+0
HETATM   69  H   UNK     0      -2.308   3.645  -3.142  0.00  0.00           H+0
HETATM   70  H   UNK     0      -2.248   3.188  -1.451  0.00  0.00           H+0
HETATM   71  H   UNK     0      -1.810   0.643  -4.090  0.00  0.00           H+0
HETATM   72  H   UNK     0      -0.389   3.095  -5.291  0.00  0.00           H+0
HETATM   73  H   UNK     0      -2.135   2.789  -5.233  0.00  0.00           H+0
HETATM   74  H   UNK     0      -1.570   1.989  -7.450  0.00  0.00           H+0
HETATM   75  H   UNK     0       0.771  -0.433  -8.291  0.00  0.00           H+0
HETATM   76  H   UNK     0      -0.843   0.098  -8.779  0.00  0.00           H+0
HETATM   77  H   UNK     0      -0.661  -1.381  -7.829  0.00  0.00           H+0
CONECT    1    2   38   39                                                  
CONECT    2   26    1    3                                                  
CONECT    3    2    4   40   22                                             
CONECT    4    3    5   41   42                                             
CONECT    5   21    4    6    7                                             
CONECT    6    5   43                                                       
CONECT    7   22   44    5    8                                             
CONECT    8    9    7   45   46                                             
CONECT    9    8   10   47   48                                             
CONECT   10    9   19   11   49                                             
CONECT   11   10   12   14   13                                             
CONECT   12   11   50   51   52                                             
CONECT   13   11   53   54   55                                             
CONECT   14   11   15                                                       
CONECT   15   16   14   17                                                  
CONECT   16   15                                                            
CONECT   17   18   15   56                                                  
CONECT   18   19   17   57                                                  
CONECT   19   21   10   18   20                                             
CONECT   20   19   21                                                       
CONECT   21    5   19   20   58                                             
CONECT   22   24    7   23    3                                             
CONECT   23   22   59   60   61                                             
CONECT   24   22   25   62   63                                             
CONECT   25   24   26   64   65                                             
CONECT   26    2   28   25   27                                             
CONECT   27   26   66                                                       
CONECT   28   26   30   29   67                                             
CONECT   29   28   68   69   70                                             
CONECT   30   28   31   37   71                                             
CONECT   31   30   32   72   73                                             
CONECT   32   33   31   74                                                  
CONECT   33   35   32   34                                                  
CONECT   34   33   75   76   77                                             
CONECT   35   37   33   36                                                  
CONECT   36   35                                                            
CONECT   37   30   35                                                       
CONECT   38    1                                                            
CONECT   39    1                                                            
CONECT   40    3                                                            
CONECT   41    4                                                            
CONECT   42    4                                                            
CONECT   43    6                                                            
CONECT   44    7                                                            
CONECT   45    8                                                            
CONECT   46    8                                                            
CONECT   47    9                                                            
CONECT   48    9                                                            
CONECT   49   10                                                            
CONECT   50   12                                                            
CONECT   51   12                                                            
CONECT   52   12                                                            
CONECT   53   13                                                            
CONECT   54   13                                                            
CONECT   55   13                                                            
CONECT   56   17                                                            
CONECT   57   18                                                            
CONECT   58   21                                                            
CONECT   59   23                                                            
CONECT   60   23                                                            
CONECT   61   23                                                            
CONECT   62   24                                                            
CONECT   63   24                                                            
CONECT   64   25                                                            
CONECT   65   25                                                            
CONECT   66   27                                                            
CONECT   67   28                                                            
CONECT   68   29                                                            
CONECT   69   29                                                            
CONECT   70   29                                                            
CONECT   71   30                                                            
CONECT   72   31                                                            
CONECT   73   31                                                            
CONECT   74   32                                                            
CONECT   75   34                                                            
CONECT   76   34                                                            
CONECT   77   34                                                            
MASTER        0    0    0    0    0    0    0    0   77    0  164    0
END

RDKit          3D

77 82  0  0  0  0  0  0  0  0999 V2000
    0.0281    3.2022   -0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1408    1.8701   -0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0104    1.0232    1.0474 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4212    0.5770    1.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122   -0.3907    2.5302 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8929    0.3861    3.6872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040   -1.2342    2.0854 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7725   -1.9091    3.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0094   -3.0049    3.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2315   -2.4892    4.7808 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5667   -3.3498    6.0344 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8957   -2.9883    6.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4678   -3.1413    7.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5102   -4.7679    5.7451 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2403   -5.4673    4.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1693   -6.6932    4.8248 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545   -4.8016    3.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -3.5325    3.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348   -2.3388    3.8561 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0863   -1.0578    4.0269 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173   -1.2485    2.7786 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8480   -0.2843    1.1400 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2541    0.0572    1.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9706   -0.9701   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3821   -0.0153   -1.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3866    1.1504   -1.5450 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9008    0.5911   -1.8414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452    2.0713   -2.7499 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1793    2.7929   -2.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9591    1.3366   -4.1257 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1530    2.3087   -5.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0623    1.5648   -6.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2482    3.1879   -1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6613   -1.3811   -7.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₀O₇

Average Mass

512.6430 Da

Monoisotopic Mass

512.27740 Da

IUPAC Name

(1R,2R,4S,10S,13S,14R,17R,19R)-1,17-dihydroxy-9,9,14-trimethyl-17-[(1R)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-18-methylidene-3,8-dioxapentacyclo[11.7.0.0^{2,4}.0^{4,10}.0^{14,19}]icos-5-en-7-one

Traditional Name

(1R,2R,4S,10S,13S,14R,17R,19R)-1,17-dihydroxy-9,9,14-trimethyl-17-[(1R)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-18-methylidene-3,8-dioxapentacyclo[11.7.0.0^{2,4}.0^{4,10}.0^{14,19}]icos-5-en-7-one

CAS Registry Number

Not Available

SMILES

[H]O[C@]12C([H])([H])[C@@]3([H])C(=C([H])[H])[C@@](O[H])(C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]1([H])[C@@]3(O[C@]23[H])C([H])=C([H])C(=O)OC1(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@]1([H])OC(=O)C(=C([H])C1([H])[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C30H40O7/c1-16-7-8-20(35-24(16)32)18(3)28(33)14-13-27(6)19(17(28)2)15-29(34)22(27)10-9-21-26(4,5)36-23(31)11-12-30(21)25(29)37-30/h7,11-12,18-22,25,33-34H,2,8-10,13-15H2,1,3-6H3/t18-,19+,20-,21+,22+,25-,27-,28+,29-,30+/m1/s1

InChI Key

RKMYXEBXNYIKFQ-APZGIULGSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, C₅D₅N, 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
Kadsura coccinea	JEOL database	Gao, X.-M., et al, Tetrahedron 64, 11673 (2008)

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	4.48	ALOGPS
logP	3.67	ChemAxon
logS	-5	ALOGPS
pKa (Strongest Acidic)	13.36	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	105.59 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	137.2 m³·mol⁻¹	ChemAxon
Polarizability	56.77 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

32742397

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Gao, X.-M., et al. (2008). Gao, X.-M., et al, Tetrahedron 64, 11673 (2008). Tetrahedron.

Showing NP-Card for kadcoccilactone P (NP0037752)

MOL for NP0037752 (kadcoccilactone P)

3D MOL for NP0037752 (kadcoccilactone P)

3D SDF for NP0037752 (kadcoccilactone P)

3D-SDF for NP0037752 (kadcoccilactone P)

PDB for NP0037752 (kadcoccilactone P)

3D PDB for NP0037752 (kadcoccilactone P)

SMILES for NP0037752 (kadcoccilactone P)

INCHI for NP0037752 (kadcoccilactone P)

Structure for NP0037752 (kadcoccilactone P)

3D Structure for NP0037752 (kadcoccilactone P)