Summary

IMPPAT Phytochemical identifier: IMPHY004912

Phytochemical name: 5,6,7-Trihydroxy-2-methylchromone

Synonymous chemical names:
2,2,6-trihydroxychromone

External chemical identifiers:
CID:52918154, ChEMBL:CHEMBL1684147

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Chemical structure information

SMILES:
Cc1oc2cc(O)c(c(c2c(=O)c1)O)O

InChI:
InChI=1S/C10H8O5/c1-4-2-5(11)8-7(15-4)3-6(12)9(13)10(8)14/h2-3,12-14H,1H3

InChIKey:
HEVICQKVVHUFCP-UHFFFAOYSA-N

DeepSMILES:
CcocccO)ccc6c=O)c%10)))O))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: 1.803

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Chemical structure download