Summary

IMPPAT Phytochemical identifier: IMPHY017421

Phytochemical name: Benzene, 1,1'-(2-pentene-1,5-diyl)bis-

Synonymous chemical names:
1,5-diphenyl-2-pentene

External chemical identifiers:
CID:5368485, SureChEMBL:SCHEMBL433496

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Chemical structure information

SMILES:
c1ccc(cc1)CC/C=C/Cc1ccccc1

InChI:
InChI=1S/C17H18/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h1-8,10-13H,9,14-15H2/b8-3+

InChIKey:
JGOZVYDIWQEWAS-FPYGCLRLSA-N

DeepSMILES:
cccccc6))CC/C=C/Ccccccc6

Functional groups:
C/C=C/C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=CCc1ccccc1)CCc1ccccc1

Scaffold Graph/Node level:
C1CCC(CCCCCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCCCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP-Likeness score: 0.929

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Chemical structure download