Summary

IMPPAT Phytochemical identifier: IMPHY013269

Phytochemical name: Mopanin

Synonymous chemical names:
mopanin

External chemical identifiers:
CID:15560612

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Chemical structure information

SMILES:
Oc1ccc2c(c1)oc1-c3ccc(c(c3COc1c2=O)O)O

InChI:
InChI=1S/C16H10O6/c17-7-1-2-9-12(5-7)22-15-8-3-4-11(18)13(19)10(8)6-21-16(15)14(9)20/h1-5,17-19H,6H2

InChIKey:
RBBWOJZPSUZDBS-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)oc-cccccc6COc%10c%14=O))))))O))O

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3ccccc13)-c1ccccc1CO2

Scaffold Graph/Node level:
OC1C2CCCCC2OC2C3CCCCC3COC12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCCC3CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Pyranoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.659

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Chemical structure download