Summary

IMPPAT Phytochemical identifier: IMPHY006323

Phytochemical name: 5-Methoxy-2-phenylchromen-7-one

Synonymous chemical names:
nordracorhodin

External chemical identifiers:
CID:610735, ChEMBL:CHEMBL486389, ZINC:ZINC000014614771

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Chemical structure information

SMILES:
COc1cc(=O)cc2-c1ccc(o2)c1ccccc1

InChI:
InChI=1S/C16H12O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-10H,1H3

InChIKey:
VWNVDXRJGNLURQ-UHFFFAOYSA-N

DeepSMILES:
COccc=O)cc-c6ccco6)cccccc6

Functional groups:
c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccc(-c3ccccc3)oc-2c1

Scaffold Graph/Node level:
OC1CCC2CCC(C3CCCCC3)OC2C1

Scaffold Graph level:
CC1CCC2CCC(C3CCCCC3)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.181

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Chemical structure download