Summary

IMPPAT Phytochemical identifier: IMPHY012888

Phytochemical name: 7-Hydroxy-2,3-dimethylchromone

Synonymous chemical names:
7-hydroxy-2,3-dimethylchromone

External chemical identifiers:
CID:5748541, ZINC:ZINC000038175152, SureChEMBL:SCHEMBL3956317

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Chemical structure information

SMILES:
Oc1ccc2c(c1)oc(c(c2=O)C)C

InChI:
InChI=1S/C11H10O3/c1-6-7(2)14-10-5-8(12)3-4-9(10)11(6)13/h3-5,12H,1-2H3

InChIKey:
UZYVCVUBLCTORQ-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occc6=O))C))C

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: 0.733

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Chemical structure download