Summary

IMPPAT Phytochemical identifier: IMPHY003021

Phytochemical name: Agecorynin C

Synonymous chemical names:
agecorynin c

External chemical identifiers:
CID:256420, ChEMBL:CHEMBL521296, ChEBI:79466, ZINC:ZINC000001730690, FDASRS:Q44S2K78D4

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Chemical structure information

SMILES:
COc1cc(OC)c(cc1c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC)OC

InChI:
InChI=1S/C22H24O9/c1-24-13-10-16(26-3)15(25-2)8-11(13)14-9-12(23)17-18(27-4)20(28-5)22(30-7)21(29-6)19(17)31-14/h8-10H,1-7H3

InChIKey:
GQZBZQRNQGILGI-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6ccc=O)cco6)cOC))ccc6OC)))OC)))OC)))))))))))OC

Functional groups:
c=O, 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: Flavones

NP-Likeness score: 0.893

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Chemical structure download