Summary

IMPPAT Phytochemical identifier: IMPHY010732

Phytochemical name: Hegoflavone B

Synonymous chemical names:
hegoflavone b

Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc(cc2=O)c1cc(O)c(cc1c1c(O)cc2c(c1O)C(=O)CC(O2)c1ccc(c(c1)O)O)O

InChI:
InChI=1S/C30H20O12/c31-12-4-19(36)28-21(38)9-24(42-25(28)5-12)13-6-17(34)18(35)7-14(13)27-20(37)10-26-29(30(27)40)22(39)8-23(41-26)11-1-2-15(32)16(33)3-11/h1-7,9-10,23,31-37,40H,8H2

InChIKey:
NLHJBTUWWLYCJZ-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)occc6=O)))cccO)ccc6ccO)cccc6O))C=O)CCO6)cccccc6)O))O)))))))))))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccc(-c3ccccc3-c3cc(=O)c4ccccc4o3)cc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCC(C3CCCCC3C3CC(O)C4CCCCC4O3)CC12

Scaffold Graph level:
CC1CC(C2CCCCC2C2CCC3CC(C4CCCCC4)CC(C)C3C2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones, Flavones

NP-Likeness score: 1.725

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Chemical structure download