Summary

IMPPAT Phytochemical identifier: IMPHY002264

Phytochemical name: Sesquifenchene

Synonymous chemical names:
sesquifenchene

External chemical identifiers:
CID:101413013

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Chemical structure information

SMILES:
CC(=CCC1(C)C2CCC1C(=C)C2)C

InChI:
InChI=1S/C14H22/c1-10(2)7-8-14(4)12-5-6-13(14)11(3)9-12/h7,12-13H,3,5-6,8-9H2,1-2,4H3

InChIKey:
YTIBUTPIHQZZMW-UHFFFAOYSA-N

DeepSMILES:
CC=CCCC)CCCC5C=C)C6)))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCC1C2

Scaffold Graph/Node level:
CC1CC2CCC1C2

Scaffold Graph level:
CC1CC2CCC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bergamotane sesquiterpenoids

NP-Likeness score: 3.108

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Chemical structure download