Summary

IMPPAT Phytochemical identifier: IMPHY009092

Phytochemical name: Ugonin C

Synonymous chemical names:
ugonin c

External chemical identifiers:
CID:5315115, SureChEMBL:SCHEMBL19665235

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Chemical structure information

SMILES:
COc1c(oc2c(c1=O)c(O)cc1c2C(C)(C)C(O1)C)c1ccc(cc1)O

InChI:
InChI=1S/C21H20O6/c1-10-21(2,3)16-14(26-10)9-13(23)15-17(24)20(25-4)18(27-19(15)16)11-5-7-12(22)8-6-11/h5-10,22-23H,1-4H3

InChIKey:
QJGHPSMBMKFFEE-UHFFFAOYSA-N

DeepSMILES:
COccoccc6=O))cO)ccc6CC)C)CO5)C))))))))))cccccc6))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c3c(ccc12)OCC3

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCC1OCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCC1CCCC12

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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: 2.146

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Chemical structure download