Summary

IMPPAT Phytochemical identifier: IMPHY002515

Phytochemical name: Conyzatin

Synonymous chemical names:
conyzatin

External chemical identifiers:
CID:13916282, ZINC:ZINC000015271720

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Chemical structure information

SMILES:
COc1cc(cc(c1OC)OC)c1oc2c(OC)c(O)cc(c2c(=O)c1OC)O

InChI:
InChI=1S/C20H20O9/c1-24-12-6-9(7-13(25-2)18(12)27-4)16-20(28-5)15(23)14-10(21)8-11(22)17(26-3)19(14)29-16/h6-8,21-22H,1-5H3

InChIKey:
WFUOMXZWZFSZEM-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))OC))))coccOC))cO)ccc6c=O)c%10OC)))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)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: Flavonols

NP-Likeness score: 1.317

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Chemical structure download