Summary

IMPPAT Phytochemical identifier: IMPHY001837

Phytochemical name: 5-Hydroxy-2-(2-phenylethyl)chromen-4-one

Synonymous chemical names:
5-hydroxy-2-2-phenylethylchromone

External chemical identifiers:
CID:11536299, ChEMBL:CHEMBL479683, SureChEMBL:SCHEMBL16972760

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Chemical structure information

SMILES:
Oc1cccc2c1c(=O)cc(o2)CCc1ccccc1

InChI:
InChI=1S/C17H14O3/c18-14-7-4-8-16-17(14)15(19)11-13(20-16)10-9-12-5-2-1-3-6-12/h1-8,11,18H,9-10H2

InChIKey:
OLLHYYCQHNBTQC-UHFFFAOYSA-N

DeepSMILES:
Occcccc6c=O)cco6)CCcccccc6

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(CCc2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(CCC2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(CCC2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 0.929

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Chemical structure download