Summary

IMPPAT Phytochemical identifier: IMPHY009505

Phytochemical name: 5,8-Dihydroxy-2-(2-phenylethyl)chromone

Synonymous chemical names:
5,8-dihydroxy-2-(2-phenylethyl)chromone

External chemical identifiers:
CID:129670, SureChEMBL:SCHEMBL16983575

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Chemical structure information

SMILES:
Oc1ccc(c2c1oc(CCc1ccccc1)cc2=O)O

InChI:
InChI=1S/C17H14O4/c18-13-8-9-14(19)17-16(13)15(20)10-12(21-17)7-6-11-4-2-1-3-5-11/h1-5,8-10,18-19H,6-7H2

InChIKey:
NKMJZJDVLMDPGO-UHFFFAOYSA-N

DeepSMILES:
Occcccc6ocCCcccccc6))))))))cc6=O)))))))O

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: 1.241

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Chemical structure download