Summary

IMPPAT Phytochemical identifier: IMPHY017543

Phytochemical name: 6-Methyl-6-phenylfulvene

Synonymous chemical names:
6-methyl-6-phenylfulveneb

External chemical identifiers:
CID:592822, ZINC:ZINC000136764005, SureChEMBL:SCHEMBL6890595

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Chemical structure information

SMILES:
C/C(=C1/C=CC=C1)/c1ccccc1

InChI:
InChI=1S/C13H12/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-10H,1H3

InChIKey:
MBNCGVQBXYMZSC-UHFFFAOYSA-N

DeepSMILES:
C/C=C/C=CC=C/5)))))/cccccc6

Functional groups:
cC(C)=C1C=CC=C1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC(=Cc2ccccc2)C=C1

Scaffold Graph/Node level:
C1CCC(CC2CCCC2)CC1

Scaffold Graph level:
C1CCC(CC2CCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenylpropenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.102

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Chemical structure download