Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007072

Phytochemical name: Sorbifolin

Synonymous chemical names:
sorbifolin, Sorbifolin

External chemical identifiers:
CID:CID_3084390, ChEMBL:CHEMBL3740428, SureChEMBL:SCHEMBL739122

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Chemical structure information

SMILES:
COc1cc2oc(cc(=O)c2c(c1O)O)c1ccc(cc1)O

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

InChIKey:
UWARRXZVZDFPQU-UHFFFAOYSA-N

DeepSMILES:
COcccoccc=O)c6cc%10O))O)))))cccccc6))O

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

Link to spectral information:
MSBNK-BS-BS003676, MSBNK-BS-BS003677, MSBNK-BS-BS003678, MSBNK-BS-BS003679, MSBNK-BS-BS003680, MSBNK-BS-BS003681

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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: 1.283

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Chemical structure download