Summary

IMPPAT Phytochemical identifier: IMPHY012747

Phytochemical name: Scutellarein

Synonymous chemical names:
scutellarein, scutellarein (4',5,6,7-tetrahydroxyflavone), scutellarein(5,6,7,4'-tetrahydroxyflavone)

External chemical identifiers:
CID:5281697, ChEMBL:CHEMBL55415, ChEBI:9062, ZINC:ZINC000005842416, FDASRS:P460GTI853, SureChEMBL:SCHEMBL142093, MolPort-003-724-680

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)O)O

InChI:
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H

InChIKey:
JVXZRQGOGOXCEC-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))ccc=O)cco6)cccc6O))O))O

Functional groups:
c=O, cO, 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: Flavones

NP-Likeness score: 1.445

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Chemical structure download