Summary

IMPPAT Phytochemical identifier: IMPHY004112

Phytochemical name: Fustin

Synonymous chemical names:
(+)fustin, dihydrofisetin, fustin

External chemical identifiers:
CID:5317435, ChEMBL:CHEMBL470267, ZINC:ZINC000001689527, FDASRS:C308QR79UE, SureChEMBL:SCHEMBL13640269, MolPort-006-069-167

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Chemical structure information

SMILES:
Oc1ccc2c(c1)O[C@@H]([C@H](C2=O)O)c1ccc(c(c1)O)O

InChI:
InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1

InChIKey:
FNUPUYFWZXZMIE-LSDHHAIUSA-N

DeepSMILES:
Occcccc6)O[C@@H][C@H]C6=O))O))cccccc6)O))O

Functional groups:
CO, cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

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: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Dihydroflavonols

NP-Likeness score: 2.11

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Chemical structure download