Summary

IMPPAT Phytochemical identifier: IMPHY016502

Phytochemical name: Aciphyllene

Synonymous chemical names:
aciphyllene

External chemical identifiers:
CID:565709

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Chemical structure information

SMILES:
CC(=C)C1CCC(C2C(=C(C)CC2)C1)C

InChI:
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11,13-14H,1,5-9H2,2-4H3

InChIKey:
YIWKBKBHKZAWQV-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCCCC=CC)CC5)))C7)))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

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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: Guaiane sesquiterpenoids

NP-Likeness score: 2.486

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Chemical structure download