Summary

IMPPAT Phytochemical identifier: IMPHY017050

Phytochemical name: 4,7-Methanoazulene

Synonymous chemical names:
4,7-methanoazulene

External chemical identifiers:
CID:129829942, SureChEMBL:SCHEMBL15261635

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Chemical structure information

SMILES:
c1cc2-c(c1)cc1Cc2cc1

InChI:
InChI=1S/C11H8/c1-2-9-6-8-4-5-10(7-8)11(9)3-1/h1-6H,7H2

InChIKey:
MUXWALMJUFGNDY-UHFFFAOYSA-N

DeepSMILES:
ccc-cc5)ccCc6cc5

Functional groups:
C1=CC2=CC3=CC=C(C3)C2=C1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2=CC3=CC=C(C3)C2=C1

Scaffold Graph/Node level:
C1CC2CC3CCC(C3)C2C1

Scaffold Graph level:
C1CC2CC3CCC(C3)C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Aromatic hydrocarbons

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 1.527

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Chemical structure download