Summary

IMPPAT Phytochemical identifier: IMPHY010630

Phytochemical name: Hegoflavone A

Synonymous chemical names:
hegoflavone a

Chemical structure information

SMILES:
Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(c(c2O)c1cc(O)c(cc1c1cc(=O)c2c(o1)cc(cc2O)O)O)O

InChI:
InChI=1S/C30H20O11/c31-13-3-1-12(2-4-13)23-9-22(38)29-26(40-23)11-20(36)27(30(29)39)16-8-18(34)17(33)7-15(16)24-10-21(37)28-19(35)5-14(32)6-25(28)41-24/h1-8,10-11,23,31-36,39H,9H2

InChIKey:
BHTPXPOXTZCVMS-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))CCC=O)ccO6)cccc6O))cccO)ccc6ccc=O)cco6)cccc6O)))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: 1.707

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Chemical structure download