Summary

IMPPAT Phytochemical identifier: IMPHY005615

Phytochemical name: Syringetin

Synonymous chemical names:
syringetin

External chemical identifiers:
CID:5281953, ChEMBL:CHEMBL489142, ChEBI:18215, ZINC:ZINC000006483609, SureChEMBL:SCHEMBL810981

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Chemical structure information

SMILES:
COc1cc(cc(c1O)OC)c1oc2cc(O)cc(c2c(=O)c1O)O

InChI:
InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3

InChIKey:
UZMAPBJVXOGOFT-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))OC))))cocccO)ccc6c=O)c%10O))))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: 1.459

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Chemical structure download