Summary

IMPPAT Phytochemical identifier: IMPHY017427

Phytochemical name: 1,6-Diphenyl-1,5-hexadiene

Synonymous chemical names:
benzene,1,1’-(1,5-hexadiene-1,6-diyl)bis

External chemical identifiers:
CID:5370615, ZINC:ZINC000068564396, SureChEMBL:SCHEMBL7568412

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Chemical structure information

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

InChI:
InChI=1S/C18H18/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h3-16H,1-2H2/b11-5+,12-6+

InChIKey:
GXBNHFMSIXKWHZ-YDWXAUTNSA-N

DeepSMILES:
C/C=C/cccccc6))))))))C/C=C/cccccc6

Functional groups:
c/C=C/C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=Cc1ccccc1)CCC=Cc1ccccc1

Scaffold Graph/Node level:
C(CCCC1CCCCC1)CCC1CCCCC1

Scaffold Graph level:
C(CCCC1CCCCC1)CCC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.505

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Chemical structure download