Summary

IMPPAT Phytochemical identifier: IMPHY004329

Phytochemical name: Rhamnazin

Synonymous chemical names:
rhamnazin

External chemical identifiers:
CID:5320945, ChEMBL:CHEMBL457148, ChEBI:133721, ZINC:ZINC000006403375, FDASRS:276CK9GP9Y, SureChEMBL:SCHEMBL39443

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OC)O

InChI:
InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,18-19,21H,1-2H3

InChIKey:
MYMGKIQXYXSRIJ-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O))O))cccccc6)OC)))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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.304

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Chemical structure download