Summary

IMPPAT Phytochemical identifier: IMPHY007585

Phytochemical name: Hydrobenzoin

Synonymous chemical names:
1,2-diphenyl-1,2-ethanediol

External chemical identifiers:
CID:95447, ChEMBL:CHEMBL365982, ChEBI:50013, SureChEMBL:SCHEMBL430516, MolPort-001-767-552

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Chemical structure information

SMILES:
OC(C(c1ccccc1)O)c1ccccc1

InChI:
InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H

InChIKey:
IHPDTPWNFBQHEB-UHFFFAOYSA-N

DeepSMILES:
OCCcccccc6))))))O))cccccc6

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.2

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Chemical structure download