Summary

IMPPAT Phytochemical identifier: IMPHY002366

Phytochemical name: Jeediflavanone

Synonymous chemical names:
jeediflavanone

Chemical structure information

SMILES:
Oc1cc2OC(CC(=O)c2c(c1)O)c1ccc(c(c1)c1c(O)cc(c2c1OC(CC2=O)c1ccc(c(c1)O)O)O)O

InChI:
InChI=1S/C30H22O11/c31-14-7-19(35)28-22(38)10-24(40-26(28)8-14)12-1-3-16(32)15(5-12)27-20(36)9-21(37)29-23(39)11-25(41-30(27)29)13-2-4-17(33)18(34)6-13/h1-9,24-25,31-37H,10-11H2

InChIKey:
YWCXKQORQZJRJW-UHFFFAOYSA-N

DeepSMILES:
OcccOCCC=O)c6cc%10)O)))))cccccc6)ccO)cccc6OCCC6=O)))cccccc6)O))O)))))))))O))))))O

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2cccc(-c3cccc4c3OC(c3ccccc3)CC4=O)c2)Oc2ccccc21

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: Flavanones

NP-Likeness score: 1.418

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Chemical structure download