Summary

IMPPAT Phytochemical identifier: IMPHY004543

Phytochemical name: gamma-Patchoulene

Synonymous chemical names:
gamma-patchoulene, patchoulene, gamma-, γ-patchoulene

External chemical identifiers:
CID:521302

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Chemical structure information

SMILES:
CC1CCC23C1CC(C3(C)C)CCC2=C

InChI:
InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h10,12-13H,2,5-9H2,1,3-4H3

InChIKey:
SLTLKLCDQWGISZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5CCC5C)C))CCC7=C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CC3CCCC13C2

Scaffold Graph/Node level:
CC1CCC2CC3CCCC13C2

Scaffold Graph level:
CC1CCC2CC3CCCC13C2

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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: Patchoulane sesquiterpenoids

NP-Likeness score: 3.176

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Chemical structure download