Summary

IMPPAT Phytochemical identifier: IMPHY017288

Phytochemical name: 7-(1-Methylethylidene)bicyclo(4.1.0)heptane

Synonymous chemical names:
bicyclo 4.1.0 heptane,7-(1-methylethylidene)-

External chemical identifiers:
CID:40707

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Chemical structure information

SMILES:
CC(=C1C2C1CCCC2)C

InChI:
InChI=1S/C10H16/c1-7(2)10-8-5-3-4-6-9(8)10/h8-9H,3-6H2,1-2H3

InChIKey:
UPWUDJZKOSQIRQ-UHFFFAOYSA-N

DeepSMILES:
CC=CCC3CCCC6)))))))C

Functional groups:
CC(C)=C1CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2CCCCC12

Scaffold Graph/Node level:
CC1C2CCCCC12

Scaffold Graph level:
CC1C2CCCCC12

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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: Monoterpenoids

NP-Likeness score: 0.6

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Chemical structure download