Summary

IMPPAT Phytochemical identifier: IMPHY001744

Phytochemical name: 3'-Methoxypongapin

Synonymous chemical names:
3'-methoxypongapin, 3-methoxypongapin

External chemical identifiers:
CID:15838767, ZINC:ZINC000014677199

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Chemical structure information

SMILES:
COc1cc(cc2c1OCO2)c1oc2c(c(=O)c1OC)ccc1c2cco1

InChI:
InChI=1S/C20H14O7/c1-22-14-7-10(8-15-19(14)26-9-25-15)17-20(23-2)16(21)12-3-4-13-11(5-6-24-13)18(12)27-17/h3-8H,9H2,1-2H3

InChIKey:
VKSKFMRCZHZMHZ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OCO5))))))coccc=O)c6OC))))cccc6cco5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccc3c(c2)OCO3)oc2c1ccc1occc12

Scaffold Graph/Node level:
OC1CC(C2CCC3OCOC3C2)OC2C1CCC1OCCC12

Scaffold Graph level:
CC1CC(C2CCC3CCCC3C2)CC2C1CCC1CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.106

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Chemical structure download