Summary

IMPPAT Phytochemical identifier: IMPHY014704

Phytochemical name: Monogynol

Synonymous chemical names:
(+)-monogynol

External chemical identifiers:
CID:500043

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Chemical structure information

SMILES:
OCC1(C)CCCC2(C1CCC13C2CCC(C3)(C=C1)C)C

InChI:
InChI=1S/C20H32O/c1-17-9-5-16-19(3)8-4-7-18(2,14-21)15(19)6-10-20(16,13-17)12-11-17/h11-12,15-16,21H,4-10,13-14H2,1-3H3

InChIKey:
CIGQQQTZOIDQQR-UHFFFAOYSA-N

DeepSMILES:
OCCC)CCCCC6CCCC6CCCC6)C=C7))C)))))))))C

Functional groups:
CC=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCC4CCCCC4C2CCC1C3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

Scaffold Graph level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Beyerane diterpenoids, Norkaurane diterpenoids

NP-Likeness score: 3.099

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Chemical structure download