Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003336

Phytochemical name: Sequoiaflavone

Synonymous chemical names:
"7-o-methyamentoflavone, sequoiaflavone, 7-o-methylamentoflavone(sequoiaflavone), 7""-o-methylamentoflavone, 7-o-methylamentoflavone, Sequoiaflavone"

External chemical identifiers:
CID:CID_5484010, ChEMBL:CHEMBL255493, SureChEMBL:SCHEMBL1158361

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O)O

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

InChIKey:
TYUMAYSMJLPFAN-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O)))cccccc6)ccO)cccc6occc6=O)))cccccc6))O)))))))))O))))))O

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

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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: 1.127

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Chemical structure download