Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008901

Phytochemical name: 7-Hydroxyflavone

Synonymous chemical names:
7-hydroxyflavone, Flavone, 7-hydroxy

External chemical identifiers:
CID:CID_5281894, ChEMBL:CHEMBL276915, ChEBI:CHEBI:2268, ZINC:ZINC000005934541, FDASRS:ZE72458E4L, SureChEMBL:SCHEMBL312148, MolPort-001-742-467

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Chemical structure information

SMILES:
Oc1ccc2c(c1)oc(cc2=O)c1ccccc1

InChI:
InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H

InChIKey:
MQGPSCMMNJKMHQ-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occc6=O)))cccccc6

Functional groups:
cO, c=O, coc

Link to spectral information:
MSBNK-Fiocruz-FIO00146, MSBNK-Fiocruz-FIO00149, MSBNK-Fiocruz-FIO00148, MSBNK-Fiocruz-FIO00147, MSBNK-Fiocruz-FIO00145, MSBNK-Fiocruz-FIO00144, MSBNK-Fiocruz-FIO00142, MSBNK-Fiocruz-FIO00141, MSBNK-Fiocruz-FIO00140, MSBNK-BS-BS003021, MSBNK-BS-BS003020, MSBNK-Fiocruz-FIO00143

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.743

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Chemical structure download