Summary

IMPPAT Phytochemical identifier: IMPHY005897

Phytochemical name: Sotetsuflavone

Synonymous chemical names:
sotesuflavone, sotetsuflavone

External chemical identifiers:
CID:5494868, ChEMBL:CHEMBL450522, ZINC:ZINC000044351165, FDASRS:AL6OQW24CT, SureChEMBL:SCHEMBL4467051, MolPort-044-727-295

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1c1cc(ccc1O)c1cc(=O)c3c(o1)cc(cc3O)O)oc(cc2=O)c1ccc(cc1)O

InChI:
InChI=1S/C31H20O10/c1-39-26-13-23(38)30-22(37)12-24(14-2-5-16(32)6-3-14)41-31(30)28(26)18-8-15(4-7-19(18)34)25-11-21(36)29-20(35)9-17(33)10-27(29)40-25/h2-13,32-35,38H,1H3

InChIKey:
OIFVLHZEBAXHPM-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6cccccc6O))))ccc=O)cco6)cccc6O)))O))))))))))))occc6=O)))cccccc6))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2cccc(-c3cccc4c(=O)cc(-c5ccccc5)oc34)c2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCC(C3CCCC4C(O)CC(C5CCCCC5)OC43)C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC(C3CCCC4C(C)CC(C5CCCCC5)CC43)C2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Biflavonoids and polyflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.217

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Chemical structure download