Summary

IMPPAT Phytochemical identifier: IMPHY005580

Phytochemical name: 5,7-Dihydroxychromone

Synonymous chemical names:
5,7-dihydroxychromone

External chemical identifiers:
CID:5281343, ChEMBL:CHEMBL3604316, ChEBI:2007, ZINC:ZINC000006119185, SureChEMBL:SCHEMBL1860859, MolPort-008-155-942

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)occc2=O

InChI:
InChI=1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H

InChIKey:
NYCXYKOXLNBYID-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)occc6=O

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccoc2ccccc12

Scaffold Graph/Node level:
OC1CCOC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: 1.705

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Chemical structure download