Summary

IMPPAT Phytochemical identifier: IMPHY002060

Phytochemical name: 2-Methoxymedicarpin

Synonymous chemical names:
2-methoxymedicarpin

External chemical identifiers:
CID:12218868, ChEBI:174864

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Chemical structure information

SMILES:
COc1ccc2c(c1)OC1C2COc2c1cc(OC)c(c2)O

InChI:
InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-14-7-13(18)16(20-2)6-11(14)17(12)22-15(10)5-9/h3-7,12,17-18H,8H2,1-2H3

InChIKey:
YVBGQNQUTOVRER-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)OCC5COcc6ccOC))cc6)O

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OC1c3ccccc3OCC21

Scaffold Graph/Node level:
C1CCC2C(C1)OC1C3CCCCC3OCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

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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: 1.836

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Chemical structure download