Summary

IMPPAT Phytochemical identifier: IMPHY008502

Phytochemical name: Gardenin C

Synonymous chemical names:
gardenin c

External chemical identifiers:
CID:3084507, FDASRS:TJ3J698F99, SureChEMBL:SCHEMBL2137291

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Chemical structure information

SMILES:
COc1c(O)cc(cc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC

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

InChIKey:
FWJPIXFUGYRDQG-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6OC))))ccc=O)cco6)cOC))ccc6O))OC)))OC

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: Flavones

NP-Likeness score: 1.415

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Chemical structure download