Summary

IMPPAT Phytochemical identifier: IMPHY015985

Phytochemical name: (3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol

Synonymous chemical names:
verticiol

External chemical identifiers:
CID:5377475

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Chemical structure information

SMILES:
C/C/1=CCC2CCC(C(C2(C)C)CC/C(=CCC1)/C)(C)O

InChI:
InChI=1S/C20H34O/c1-15-7-6-8-16(2)10-12-18-19(3,4)17(11-9-15)13-14-20(18,5)21/h8-9,17-18,21H,6-7,10-14H2,1-5H3/b15-9+,16-8-

InChIKey:
CQWSCMMFUZYKBO-MVTUEYSXSA-N

DeepSMILES:
C/C=CCCCCCCC6C)C))CC/C=CCC%14)))/C)))))C)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC2CCCC(CC=CCC1)C2

Scaffold Graph/Node level:
C1CCCCC2CCCC(CCCC1)C2

Scaffold Graph level:
C1CCCCC2CCCC(CCCC1)C2

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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: Verticillane diterpenoids

NP-Likeness score: 2.55

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Chemical structure download