Summary

IMPPAT Phytochemical identifier: IMPHY013400

Phytochemical name: 2-Hydroxy-4-methoxypterocarpin

Synonymous chemical names:
2-hydroxy-4-methoxy pterocarpin(2-hydroxy-3,4-dimethoxy-8,9-methylene dioxypterocarpan)

External chemical identifiers:
CID:44257464

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Chemical structure information

SMILES:
COc1c(O)cc2c(c1OC)OCC1C2Oc2c1cc1c(c2)OCO1

InChI:
InChI=1S/C18H16O7/c1-20-17-11(19)3-9-15-10(6-22-16(9)18(17)21-2)8-4-13-14(24-7-23-13)5-12(8)25-15/h3-5,10,15,19H,6-7H2,1-2H3

InChIKey:
GPFUEUABGPAZKE-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6OC)))OCCC6Occ5cccc6)OCO5

Functional groups:
c1cOCO1, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4

Scaffold Graph/Node level:
C1CCC2C(C1)OCC1C3CC4OCOC4CC3OC21

Scaffold Graph level:
C1CC2CC3CC4C5CCCCC5CCC4C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Furanoisoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Pterocarpan

NP-Likeness score: 2.078

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Chemical structure download