Summary

IMPPAT Phytochemical identifier: IMPHY000273

Phytochemical name: 1,7-Diphenyl-5-hydroxy-4-benzyl-3-heptanone

Synonymous chemical names:
5-hydroxy-1,7-diphenylheptan-3-one

External chemical identifiers:
CID:102134029

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Chemical structure information

SMILES:
OC(C(C(=O)CCc1ccccc1)Cc1ccccc1)CCc1ccccc1

InChI:
InChI=1S/C26H28O2/c27-25(18-16-21-10-4-1-5-11-21)24(20-23-14-8-3-9-15-23)26(28)19-17-22-12-6-2-7-13-22/h1-15,24-25,27H,16-20H2

InChIKey:
SEMDIZXPDPRXML-UHFFFAOYSA-N

DeepSMILES:
OCCC=O)CCcccccc6)))))))))Ccccccc6))))))))CCcccccc6

Functional groups:
CC(C)=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCc1ccccc1)C(CCCc1ccccc1)Cc1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C(CCCC1CCCCC1)CC1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)C(CCCC1CCCCC1)CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Diarylheptanoids

ClassyFire Subclass: Linear diarylheptanoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Diarylheptanoids

NP Classifier Class: Linear diarylheptanoids

NP-Likeness score: 0.827

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Chemical structure download