NP-MRD: Showing NP-Card for fokihodgin I (NP0043432)

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Record Information

Version

1.0

Created at

2021-06-21 00:50:29 UTC

Updated at

2021-06-30 00:19:06 UTC

NP-MRD ID

NP0043432

Secondary Accession Numbers

None

Natural Product Identification

Common Name

fokihodgin I

Provided By

JEOL Database JEOL Logo

Description

CHEMBL2385634 belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. fokihodgin I is found in Chamaecyparis formosensis and Fokienia hodginsii. It was first documented in 2013 (Wu, X. -D., et al.). Based on a literature review very few articles have been published on CHEMBL2385634.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306212102503D          

 77 79  0  0  0  0            999 V2000
    2.8344   -5.8410    1.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740   -5.4589    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -4.3098   -0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7126   -4.1045   -1.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6444   -3.3705    0.9319 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9061   -2.0170    0.9235 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4117   -2.0632    1.3677 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.9084    0.3521    0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5111   -1.5438   -0.9907 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

 77 79  0  0  0  0  0  0  0  0999 V2000
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    2.7487   -2.9917    4.4976 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 30  1  0
  8 10  1  0
  8 30  1  0
 18 17  2  0
 17 19  1  0
 19 20  2  0
 21 22  2  0
  8  7  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
  7 33  1  0
 17 16  1  0
 21 29  1  0
 26 27  1  0
 23 22  1  0
 27 28  1  0
 29 26  2  0
  7  6  1  0
 33 34  1  0
  3  5  1  0
  5  6  1  0
 24 25  1  0
 13 15  1  6
 11 12  1  0
  3  2  1  0
 13 14  1  0
 26 24  1  0
 30 69  1  1
 24 23  2  0
  3  4  2  3
 21 20  1  0
  8  9  1  6
 15 16  1  0
 11 10  1  0
  2  1  2  3
 12 13  1  0
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 29 68  1  0
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  7 45  1  6
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  4 39  1  0
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  9 46  1  0
  9 47  1  0
  9 48  1  0
  1 36  1  0
  1 37  1  0
 35 77  1  0
M  END


  Mrv1652306212102503D          

 77 79  0  0  0  0            999 V2000
    2.8344   -5.8410    1.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740   -5.4589    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -4.3098   -0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7126   -4.1045   -1.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6444   -3.3705    0.9319 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9061   -2.0170    0.9235 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4117   -2.0632    1.3677 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4498   -1.1215    0.5116 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9084    0.3521    0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5111   -1.5438   -0.9907 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4274   -0.9147   -1.8674 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9687   -1.1933   -1.3345 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1785   -0.7524    0.1358 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5499   -1.3442    0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2812    0.7896    0.2566 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3967    1.2801   -0.5074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6775    2.5895   -0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253    3.3438    0.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8340    3.0103   -1.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0630    2.7136   -2.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1821    1.9484   -3.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8853    2.3988   -3.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    1.6752   -4.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5498    0.5083   -5.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7233   -0.1884   -5.8688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8422    0.0402   -4.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750   -1.1279   -5.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4432   -1.6879   -5.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6615    0.7729   -3.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0280   -1.3750    1.0096 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1692   -1.1205    2.5220 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7506   -2.0475    3.3089 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2333   -1.9229    2.9229 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8386   -0.6676    3.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9070   -3.0349    3.5387 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9852   -5.3023    2.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062   -6.7247    1.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1494   -6.0765   -0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4639   -4.7540   -2.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3710   -3.2689   -1.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7156   -3.1530    0.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5898   -3.8497    1.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4703   -1.3280    1.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0046   -1.5956   -0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0692   -3.0808    1.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9908    0.4361    0.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.8860    1.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6938    0.9264   -0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4788   -1.2848   -1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4192   -2.6354   -1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5841    0.1633   -1.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100   -1.3277   -2.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1515   -2.2737   -1.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7057   -0.7171   -1.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8792   -0.9482    1.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047   -2.4362    0.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915    1.2867   -0.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4164    1.0721    1.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5213    3.6588   -0.5947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9684    3.0897   -2.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052    3.3158   -3.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588    2.0159   -4.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2479   -0.9622   -6.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5408   -2.6292   -5.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2565   -1.0291   -5.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5161   -1.9167   -4.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6702    0.4470   -3.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -2.4629    0.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0328   -0.0766    2.7776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1916   -1.3232    2.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6198   -1.8677    4.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4256   -3.0867    3.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6952   -0.6962    4.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9223   -0.6154    3.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3953    0.2627    3.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7487   -2.9917    4.4976 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
 18 17  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
  8  7  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
  7 33  1  0  0  0  0
 17 16  1  0  0  0  0
 21 29  1  0  0  0  0
 26 27  1  0  0  0  0
 23 22  1  0  0  0  0
 27 28  1  0  0  0  0
 29 26  2  0  0  0  0
  7  6  1  0  0  0  0
 33 34  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
 24 25  1  0  0  0  0
 13 15  1  6  0  0  0
 11 12  1  0  0  0  0
  3  2  1  0  0  0  0
 13 14  1  0  0  0  0
 26 24  1  0  0  0  0
 30 69  1  1  0  0  0
 24 23  2  0  0  0  0
  3  4  2  3  0  0  0
 21 20  1  0  0  0  0
  8  9  1  6  0  0  0
 15 16  1  0  0  0  0
 11 10  1  0  0  0  0
  2  1  2  3  0  0  0
 12 13  1  0  0  0  0
 33 35  1  1  0  0  0
 23 63  1  0  0  0  0
 29 68  1  0  0  0  0
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 31 70  1  0  0  0  0
 31 71  1  0  0  0  0
 32 72  1  0  0  0  0
 32 73  1  0  0  0  0
  7 45  1  6  0  0  0
 34 74  1  0  0  0  0
 34 75  1  0  0  0  0
 34 76  1  0  0  0  0
  5 41  1  0  0  0  0
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  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
 15 58  1  0  0  0  0
 15 59  1  0  0  0  0
  2 38  1  0  0  0  0
 14 55  1  0  0  0  0
 14 56  1  0  0  0  0
 14 57  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
 35 77  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0043432

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C([H])C([H])=C(\C([H])=C(\[H])C(=O)OC([H])([H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])C(=C([H])[H])C([H])=C([H])[H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]23[H])C([H])=C1OC([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C30H42O5/c1-7-21(2)9-13-26-29(4)17-8-16-28(3,25(29)15-18-30(26,5)33)20-35-27(32)14-11-22-10-12-23(31)24(19-22)34-6/h7,10-12,14,19,25-26,31,33H,1-2,8-9,13,15-18,20H2,3-6H3/b14-11-/t25-,26+,28+,29-,30+/m0/s1

> <INCHI_KEY>
WTJDZDHSLHRPOC-LODGTALCSA-N

> <FORMULA>
C30H42O5

> <MOLECULAR_WEIGHT>
482.661

> <EXACT_MASS>
482.303224452

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
53.983539491757

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-en-1-yl)-decahydronaphthalen-1-yl]methyl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

> <ALOGPS_LOGP>
5.76

> <JCHEM_LOGP>
6.518348847000001

> <ALOGPS_LOGS>
-5.94

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.867803414801745

> <JCHEM_PKA_STRONGEST_BASIC>
-0.4354367739386037

> <JCHEM_POLAR_SURFACE_AREA>
75.99000000000001

> <JCHEM_REFRACTIVITY>
140.94179999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.57e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-en-1-yl)-hexahydro-2H-naphthalen-1-yl]methyl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 77 79  0  0  0  0  0  0  0  0999 V2000
    2.8344   -5.8410    1.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740   -5.4589    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -4.3098   -0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7126   -4.1045   -1.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6444   -3.3705    0.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9061   -2.0170    0.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117   -2.0632    1.3677 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4498   -1.1215    0.5116 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9084    0.3521    0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5111   -1.5438   -0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274   -0.9147   -1.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9687   -1.1933   -1.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1785   -0.7524    0.1358 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5499   -1.3442    0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2812    0.7896    0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3967    1.2801   -0.5074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6775    2.5895   -0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253    3.3438    0.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8340    3.0103   -1.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0630    2.7136   -2.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1821    1.9484   -3.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8853    2.3988   -3.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    1.6752   -4.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5498    0.5083   -5.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7233   -0.1884   -5.8688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8422    0.0402   -4.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750   -1.1279   -5.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4432   -1.6879   -5.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6615    0.7729   -3.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0280   -1.3750    1.0096 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1692   -1.1205    2.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7506   -2.0475    3.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2333   -1.9229    2.9229 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8386   -0.6676    3.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9070   -3.0349    3.5387 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9852   -5.3023    2.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1494   -6.0765   -0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0692   -3.0808    1.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9908    0.4361    0.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.8860    1.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6938    0.9264   -0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4788   -1.2848   -1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4192   -2.6354   -1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5841    0.1633   -1.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100   -1.3277   -2.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1515   -2.2737   -1.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7057   -0.7171   -1.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3354   -1.1067   -0.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8792   -0.9482    1.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047   -2.4362    0.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5213    3.6588   -0.5947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9684    3.0897   -2.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052    3.3158   -3.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588    2.0159   -4.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2479   -0.9622   -6.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5408   -2.6292   -5.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2565   -1.0291   -5.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5161   -1.9167   -4.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6702    0.4470   -3.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -2.4629    0.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0328   -0.0766    2.7776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1916   -1.3232    2.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6198   -1.8677    4.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4256   -3.0867    3.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6952   -0.6962    4.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9223   -0.6154    3.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3953    0.2627    3.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7487   -2.9917    4.4976 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 30  1  0
  8 10  1  0
  8 30  1  0
 18 17  2  0
 17 19  1  0
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  8  7  1  0
 30 31  1  0
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  7 33  1  0
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 24 25  1  0
 13 15  1  6
 11 12  1  0
  3  2  1  0
 13 14  1  0
 26 24  1  0
 30 69  1  1
 24 23  2  0
  3  4  2  3
 21 20  1  0
  8  9  1  6
 15 16  1  0
 11 10  1  0
  2  1  2  3
 12 13  1  0
 33 35  1  1
 23 63  1  0
 29 68  1  0
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 20 61  1  0
 28 65  1  0
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 10 49  1  0
 10 50  1  0
 31 70  1  0
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 32 72  1  0
 32 73  1  0
  7 45  1  6
 34 74  1  0
 34 75  1  0
 34 76  1  0
  5 41  1  0
  5 42  1  0
  6 43  1  0
  6 44  1  0
 15 58  1  0
 15 59  1  0
  2 38  1  0
 14 55  1  0
 14 56  1  0
 14 57  1  0
  4 39  1  0
  4 40  1  0
  9 46  1  0
  9 47  1  0
  9 48  1  0
  1 36  1  0
  1 37  1  0
 35 77  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       2.834  -5.841   1.211  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.374  -5.459   0.047  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.236  -4.310  -0.191  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.713  -4.104  -1.432  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.644  -3.370   0.932  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.906  -2.017   0.924  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.412  -2.063   1.368  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.450  -1.121   0.512  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.908   0.352   0.616  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.511  -1.544  -0.991  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.427  -0.915  -1.867  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.969  -1.193  -1.335  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.179  -0.752   0.136  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.550  -1.344   0.567  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.281   0.790   0.257  0.00  0.00           C+0
HETATM   16  O   UNK     0      -2.397   1.280  -0.507  0.00  0.00           O+0
HETATM   17  C   UNK     0      -2.678   2.590  -0.314  0.00  0.00           C+0
HETATM   18  O   UNK     0      -2.125   3.344   0.473  0.00  0.00           O+0
HETATM   19  C   UNK     0      -3.834   3.010  -1.128  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.063   2.714  -2.417  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.182   1.948  -3.305  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.885   2.399  -3.590  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.065   1.675  -4.454  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.550   0.508  -5.029  0.00  0.00           C+0
HETATM   25  O   UNK     0      -0.723  -0.188  -5.869  0.00  0.00           O+0
HETATM   26  C   UNK     0      -2.842   0.040  -4.765  0.00  0.00           C+0
HETATM   27  O   UNK     0      -3.175  -1.128  -5.403  0.00  0.00           O+0
HETATM   28  C   UNK     0      -4.443  -1.688  -5.082  0.00  0.00           C+0
HETATM   29  C   UNK     0      -3.662   0.773  -3.905  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.028  -1.375   1.010  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.169  -1.121   2.522  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.751  -2.047   3.309  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.233  -1.923   2.923  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.839  -0.668   3.570  0.00  0.00           C+0
HETATM   35  O   UNK     0       2.907  -3.035   3.539  0.00  0.00           O+0
HETATM   36  H   UNK     0       2.985  -5.302   2.140  0.00  0.00           H+0
HETATM   37  H   UNK     0       2.206  -6.725   1.258  0.00  0.00           H+0
HETATM   38  H   UNK     0       3.149  -6.077  -0.822  0.00  0.00           H+0
HETATM   39  H   UNK     0       4.464  -4.754  -2.266  0.00  0.00           H+0
HETATM   40  H   UNK     0       5.371  -3.269  -1.650  0.00  0.00           H+0
HETATM   41  H   UNK     0       5.716  -3.153   0.806  0.00  0.00           H+0
HETATM   42  H   UNK     0       4.590  -3.850   1.912  0.00  0.00           H+0
HETATM   43  H   UNK     0       4.470  -1.328   1.558  0.00  0.00           H+0
HETATM   44  H   UNK     0       4.005  -1.596  -0.081  0.00  0.00           H+0
HETATM   45  H   UNK     0       2.069  -3.081   1.138  0.00  0.00           H+0
HETATM   46  H   UNK     0       2.991   0.436   0.753  0.00  0.00           H+0
HETATM   47  H   UNK     0       1.434   0.886   1.441  0.00  0.00           H+0
HETATM   48  H   UNK     0       1.694   0.926  -0.288  0.00  0.00           H+0
HETATM   49  H   UNK     0       2.479  -1.285  -1.433  0.00  0.00           H+0
HETATM   50  H   UNK     0       1.419  -2.635  -1.065  0.00  0.00           H+0
HETATM   51  H   UNK     0       0.584   0.163  -1.971  0.00  0.00           H+0
HETATM   52  H   UNK     0       0.510  -1.328  -2.880  0.00  0.00           H+0
HETATM   53  H   UNK     0      -1.151  -2.274  -1.418  0.00  0.00           H+0
HETATM   54  H   UNK     0      -1.706  -0.717  -1.989  0.00  0.00           H+0
HETATM   55  H   UNK     0      -3.335  -1.107  -0.160  0.00  0.00           H+0
HETATM   56  H   UNK     0      -2.879  -0.948   1.533  0.00  0.00           H+0
HETATM   57  H   UNK     0      -2.505  -2.436   0.647  0.00  0.00           H+0
HETATM   58  H   UNK     0      -0.392   1.287  -0.129  0.00  0.00           H+0
HETATM   59  H   UNK     0      -1.416   1.072   1.307  0.00  0.00           H+0
HETATM   60  H   UNK     0      -4.521   3.659  -0.595  0.00  0.00           H+0
HETATM   61  H   UNK     0      -4.968   3.090  -2.889  0.00  0.00           H+0
HETATM   62  H   UNK     0      -1.505   3.316  -3.145  0.00  0.00           H+0
HETATM   63  H   UNK     0      -0.059   2.016  -4.676  0.00  0.00           H+0
HETATM   64  H   UNK     0      -1.248  -0.962  -6.152  0.00  0.00           H+0
HETATM   65  H   UNK     0      -4.541  -2.629  -5.631  0.00  0.00           H+0
HETATM   66  H   UNK     0      -5.256  -1.029  -5.403  0.00  0.00           H+0
HETATM   67  H   UNK     0      -4.516  -1.917  -4.013  0.00  0.00           H+0
HETATM   68  H   UNK     0      -4.670   0.447  -3.674  0.00  0.00           H+0
HETATM   69  H   UNK     0      -0.175  -2.463   0.896  0.00  0.00           H+0
HETATM   70  H   UNK     0       0.033  -0.077   2.778  0.00  0.00           H+0
HETATM   71  H   UNK     0      -1.192  -1.323   2.856  0.00  0.00           H+0
HETATM   72  H   UNK     0       0.620  -1.868   4.384  0.00  0.00           H+0
HETATM   73  H   UNK     0       0.426  -3.087   3.159  0.00  0.00           H+0
HETATM   74  H   UNK     0       2.695  -0.696   4.658  0.00  0.00           H+0
HETATM   75  H   UNK     0       3.922  -0.615   3.432  0.00  0.00           H+0
HETATM   76  H   UNK     0       2.395   0.263   3.218  0.00  0.00           H+0
HETATM   77  H   UNK     0       2.749  -2.992   4.498  0.00  0.00           H+0
CONECT    1    2   36   37                                                  
CONECT    2    3    1   38                                                  
CONECT    3    5    2    4                                                  
CONECT    4    3   39   40                                                  
CONECT    5    3    6   41   42                                             
CONECT    6    7    5   43   44                                             
CONECT    7    8   33    6   45                                             
CONECT    8   10   30    7    9                                             
CONECT    9    8   46   47   48                                             
CONECT   10    8   11   49   50                                             
CONECT   11   12   10   51   52                                             
CONECT   12   11   13   53   54                                             
CONECT   13   30   15   14   12                                             
CONECT   14   13   55   56   57                                             
CONECT   15   13   16   58   59                                             
CONECT   16   17   15                                                       
CONECT   17   18   19   16                                                  
CONECT   18   17                                                            
CONECT   19   17   20   60                                                  
CONECT   20   19   21   61                                                  
CONECT   21   22   29   20                                                  
CONECT   22   21   23   62                                                  
CONECT   23   22   24   63                                                  
CONECT   24   25   26   23                                                  
CONECT   25   24   64                                                       
CONECT   26   27   29   24                                                  
CONECT   27   26   28                                                       
CONECT   28   27   65   66   67                                             
CONECT   29   21   26   68                                                  
CONECT   30   13    8   31   69                                             
CONECT   31   30   32   70   71                                             
CONECT   32   31   33   72   73                                             
CONECT   33   32    7   34   35                                             
CONECT   34   33   74   75   76                                             
CONECT   35   33   77                                                       
CONECT   36    1                                                            
CONECT   37    1                                                            
CONECT   38    2                                                            
CONECT   39    4                                                            
CONECT   40    4                                                            
CONECT   41    5                                                            
CONECT   42    5                                                            
CONECT   43    6                                                            
CONECT   44    6                                                            
CONECT   45    7                                                            
CONECT   46    9                                                            
CONECT   47    9                                                            
CONECT   48    9                                                            
CONECT   49   10                                                            
CONECT   50   10                                                            
CONECT   51   11                                                            
CONECT   52   11                                                            
CONECT   53   12                                                            
CONECT   54   12                                                            
CONECT   55   14                                                            
CONECT   56   14                                                            
CONECT   57   14                                                            
CONECT   58   15                                                            
CONECT   59   15                                                            
CONECT   60   19                                                            
CONECT   61   20                                                            
CONECT   62   22                                                            
CONECT   63   23                                                            
CONECT   64   25                                                            
CONECT   65   28                                                            
CONECT   66   28                                                            
CONECT   67   28                                                            
CONECT   68   29                                                            
CONECT   69   30                                                            
CONECT   70   31                                                            
CONECT   71   31                                                            
CONECT   72   32                                                            
CONECT   73   32                                                            
CONECT   74   34                                                            
CONECT   75   34                                                            
CONECT   76   34                                                            
CONECT   77   35                                                            
MASTER        0    0    0    0    0    0    0    0   77    0  158    0
END

RDKit          3D

77 79  0  0  0  0  0  0  0  0999 V2000
    2.8344   -5.8410    1.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740   -5.4589    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -4.3098   -0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7126   -4.1045   -1.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6444   -3.3705    0.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9061   -2.0170    0.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117   -2.0632    1.3677 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4498   -1.1215    0.5116 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9084    0.3521    0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5111   -1.5438   -0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274   -0.9147   -1.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9687   -1.1933   -1.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1785   -0.7524    0.1358 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5499   -1.3442    0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2812    0.7896    0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3967    1.2801   -0.5074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6775    2.5895   -0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253    3.3438    0.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8340    3.0103   -1.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0630    2.7136   -2.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1821    1.9484   -3.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8853    2.3988   -3.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    1.6752   -4.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5498    0.5083   -5.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7233   -0.1884   -5.8688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8422    0.0402   -4.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750   -1.1279   -5.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4432   -1.6879   -5.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6615    0.7729   -3.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0280   -1.3750    1.0096 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1692   -1.1205    2.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7506   -2.0475    3.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3354   -1.1067   -0.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8792   -0.9482    1.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047   -2.4362    0.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5052    3.3158   -3.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1750   -2.4629    0.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0328   -0.0766    2.7776 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4256   -3.0867    3.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6952   -0.6962    4.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9223   -0.6154    3.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3953    0.2627    3.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7487   -2.9917    4.4976 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

C₃₀H₄₂O₅

Average Mass

482.6610 Da

Monoisotopic Mass

482.30322 Da

IUPAC Name

[(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-en-1-yl)-decahydronaphthalen-1-yl]methyl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Traditional Name

[(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-en-1-yl)-hexahydro-2H-naphthalen-1-yl]methyl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

[H]OC1=C([H])C([H])=C(\C([H])=C(\[H])C(=O)OC([H])([H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])C(=C([H])[H])C([H])=C([H])[H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]23[H])C([H])=C1OC([H])([H])[H]

InChI Identifier

InChI=1S/C30H42O5/c1-7-21(2)9-13-26-29(4)17-8-16-28(3,25(29)15-18-30(26,5)33)20-35-27(32)14-11-22-10-12-23(31)24(19-22)34-6/h7,10-12,14,19,25-26,31,33H,1-2,8-9,13,15-18,20H2,3-6H3/b14-11-/t25-,26+,28+,29-,30+/m0/s1

InChI Key

WTJDZDHSLHRPOC-LODGTALCSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
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, 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, 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, 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, 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
Chamaecyparis formosensis	LOTUS Database	35616633
Chamaecyparis hodginsii	JEOL database	Wu, X. -D., et al, J. Nat. Prod. 76, 1032 (2013)

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Labdane diterpenoid
Hydroxycinnamic acid or derivatives
Cinnamic acid ester
Coumaric acid or derivatives
Cinnamic acid or derivatives
Methoxyphenol
Phenoxy compound
Phenol ether
Styrene
Anisole
Methoxybenzene
Fatty acid ester
Phenol
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Cyclic alcohol
Tertiary alcohol
Carboxylic acid ester
Carboxylic acid derivative
Ether
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

Not Available

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	5.76	ALOGPS
logP	6.52	ChemAxon
logS	-5.9	ALOGPS
pKa (Strongest Acidic)	9.87	ChemAxon
pKa (Strongest Basic)	-0.44	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	75.99 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	140.94 m³·mol⁻¹	ChemAxon
Polarizability	53.98 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

30828792

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71725858

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wu, X. -D., et al. (2013). Wu, X. -D., et al, J. Nat. Prod. 76, 1032 (2013). J. Nat. Prod..

Showing NP-Card for fokihodgin I (NP0043432)

MOL for NP0043432 (fokihodgin I)

3D MOL for NP0043432 (fokihodgin I)

3D SDF for NP0043432 (fokihodgin I)

3D-SDF for NP0043432 (fokihodgin I)

PDB for NP0043432 (fokihodgin I)

3D PDB for NP0043432 (fokihodgin I)

SMILES for NP0043432 (fokihodgin I)

INCHI for NP0043432 (fokihodgin I)

Structure for NP0043432 (fokihodgin I)

3D Structure for NP0043432 (fokihodgin I)