Summary

IMPPAT Phytochemical identifier: IMPHY009168

Phytochemical name: Scutevulin

Synonymous chemical names:
scutevulin

External chemical identifiers:
CID:5321205, ChEMBL:CHEMBL2235250, SureChEMBL:SCHEMBL5162875

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Chemical structure information

SMILES:
COc1c(O)cc(c2c1oc(cc2=O)c1ccccc1O)O

InChI:
InChI=1S/C16H12O6/c1-21-15-12(20)6-10(18)14-11(19)7-13(22-16(14)15)8-4-2-3-5-9(8)17/h2-7,17-18,20H,1H3

InChIKey:
XCBMYKIKEHGYAR-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6occc6=O)))cccccc6O)))))))))))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: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.483

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Chemical structure download