Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014505

Phytochemical name: Prosogerin A

Synonymous chemical names:
Prosogerin A, prosogerin a(6-methoxy-7-hydroxy-3',4'-methylenedioxyflavone), prosogerin a

External chemical identifiers:
CID:CID_44257586

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Chemical structure information

SMILES:
COc1cc2c(=O)cc(oc2cc1O)c1ccc2c(c1)OCO2

InChI:
InChI=1S/C17H12O6/c1-20-16-5-10-11(18)6-14(23-15(10)7-12(16)19)9-2-3-13-17(4-9)22-8-21-13/h2-7,19H,8H2,1H3

InChIKey:
MAKXJHCYKKCQQY-UHFFFAOYSA-N

DeepSMILES:
COcccc=O)ccoc6cc%10O)))))cccccc6)OCO5

Functional groups:
cOC, c=O, coc, cO, c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccc3c(c2)OCO3)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCC3OCOC3C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCC3CCCC3C2)CC2CCCCC12

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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: 0.823

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Chemical structure download