Summary

IMPPAT Phytochemical identifier: IMPHY016972

Phytochemical name: Norcapillene

Synonymous chemical names:
norcapillene

External chemical identifiers:
CID:10983572, ChEBI:81344, SureChEMBL:SCHEMBL3846155

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Chemical structure information

SMILES:
CC#CC#Cc1ccccc1

InChI:
InChI=1S/C11H8/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,1H3

InChIKey:
ACPMYIIORVILBG-UHFFFAOYSA-N

DeepSMILES:
CC#CC#Ccccccc6

Functional groups:
cC#CC#CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.758

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Chemical structure download