Summary

IMPPAT Phytochemical identifier: IMPHY004801

Phytochemical name: 6-Methoxypulcherrimin

Synonymous chemical names:
6-methoxypulcherrimin

External chemical identifiers:
CID:44260092, ZINC:ZINC000014683292

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Chemical structure information

SMILES:
COc1cc2oc3-c4ccc5c(c4COc3c(=O)c2c(c1OC)O)OCO5

InChI:
InChI=1S/C19H14O8/c1-22-12-5-11-13(14(20)18(12)23-2)15(21)19-17(27-11)8-3-4-10-16(26-7-25-10)9(8)6-24-19/h3-5,20H,6-7H2,1-2H3

InChIKey:
KRPNMZQYEXAVOD-UHFFFAOYSA-N

DeepSMILES:
COcccoc-cccccc6COc%10c=O)c%14cc%18OC)))O))))))))OCO5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3ccccc13)-c1ccc3c(c1CO2)OCO3

Scaffold Graph/Node level:
OC1C2CCCCC2OC2C3CCC4OCOC4C3COC12

Scaffold Graph level:
CC1C2CCCCC2CC2C1CCC1C3CCCC3CCC12

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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: Isoflavonoids

NP-Likeness score: 1.626

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Chemical structure download