Summary

IMPPAT Phytochemical identifier: IMPHY009983

Phytochemical name: Eremophyllene

Synonymous chemical names:
eremophyllene

External chemical identifiers:
CID:6428416

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Chemical structure information

SMILES:
CC(=C)C1CCC2C(C1)(C)C(=CCC2)C

InChI:
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h6,13-14H,1,5,7-10H2,2-4H3

InChIKey:
ZZPSOALECBMAMW-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCCCC6)C)C=CCC6)))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Eremophilane sesquiterpenoids

NP-Likeness score: 2.474

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Chemical structure download