Summary

IMPPAT Phytochemical identifier: IMPHY009901

Phytochemical name: gamma-Cuparenol

Synonymous chemical names:
cuparenol, gamma-, gamma-cuparenol

External chemical identifiers:
CID:5316203

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Chemical structure information

SMILES:
OCc1ccc(cc1)C1(C)CCCC1(C)C

InChI:
InChI=1S/C15H22O/c1-14(2)9-4-10-15(14,3)13-7-5-12(11-16)6-8-13/h5-8,16H,4,9-11H2,1-3H3

InChIKey:
ZAOGHPYFYBQFLS-UHFFFAOYSA-N

DeepSMILES:
OCcccccc6))CC)CCCC5C)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CCCC2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCCC2)CC1

Scaffold Graph level:
C1CCC(C2CCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cuparane sesquiterpenoids, Herbertane sesquiterpenoids

NP-Likeness score: 1.656

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Chemical structure download