Summary

IMPPAT Phytochemical identifier: IMPHY014459

Phytochemical name: 5,7-Dihydroxy-2-(hydroxymethyl)-4H-1-benzopyran-4-one

Synonymous chemical names:
cnidimol c

External chemical identifiers:
CID:70697378, ChEMBL:CHEMBL2087914

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Chemical structure information

SMILES:
OCc1oc2cc(O)cc(c2c(=O)c1)O

InChI:
InChI=1S/C10H8O5/c11-4-6-3-8(14)10-7(13)1-5(12)2-9(10)15-6/h1-3,11-13H,4H2

InChIKey:
YFSVMSTWCJUXNI-UHFFFAOYSA-N

DeepSMILES:
OCcocccO)ccc6c=O)c%10)))O

Functional groups:
CO, 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: 1.881

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Chemical structure download