Summary

IMPPAT Phytochemical identifier: IMPHY014006

Phytochemical name: (5a,5b,8,8,11a-Pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol

Synonymous chemical names:
jasminol, lup-20(29)-en-28-ol

External chemical identifiers:
CID:605587

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Chemical structure information

SMILES:
OCC12CCC(C2C2C(CC1)(C)C1(C)CCC3C(C1CC2)(C)CCCC3(C)C)C(=C)C

InChI:
InChI=1S/C30H50O/c1-20(2)21-11-16-30(19-31)18-17-28(6)22(25(21)30)9-10-24-27(5)14-8-13-26(3,4)23(27)12-15-29(24,28)7/h21-25,31H,1,8-19H2,2-7H3

InChIKey:
NVGWEOCSOMJZPE-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC5CCCC9))C)CC)CCCCC6CC%10)))C)CCCC6C)C)))))))))))))C=C)C

Functional groups:
C=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Lupane triterpenoids

NP-Likeness score: 3.151

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Chemical structure download