Summary

IMPPAT Phytochemical identifier: IMPHY013138

Phytochemical name: Agehoustin G

Synonymous chemical names:
agehoustin g

External chemical identifiers:
CID:13939321, ZINC:ZINC000014436601

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Chemical structure information

SMILES:
COc1cc(OC)c(cc1c1cc(=O)c2c(o1)cc(c(c2O)OC)OC)OC

InChI:
InChI=1S/C20H20O8/c1-23-12-8-15(25-3)14(24-2)6-10(12)13-7-11(21)18-16(28-13)9-17(26-4)20(27-5)19(18)22/h6-9,22H,1-5H3

InChIKey:
XXRUPCWFCYTCAP-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6ccc=O)cco6)cccc6O))OC)))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: 1.026

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Chemical structure download