Summary

IMPPAT Phytochemical identifier: IMPHY013074

Phytochemical name: boeravinone F

Synonymous chemical names:
boeravinone f

External chemical identifiers:
CID:12004175, ChEMBL:CHEMBL496644, ZINC:ZINC000013378583

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Chemical structure information

SMILES:
Oc1ccc2c(c1)oc(=O)c1c2c(=O)c2c(o1)cc(c(c2O)C)O

InChI:
InChI=1S/C17H10O7/c1-6-9(19)5-11-13(14(6)20)15(21)12-8-3-2-7(18)4-10(8)24-17(22)16(12)23-11/h2-5,18-20H,1H3

InChIKey:
IRFJPHPNKCAISA-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)oc=O)cc6c=O)cco6)cccc6O))C))O

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2ccccc2c2c(=O)c3ccccc3oc12

Scaffold Graph/Node level:
OC1OC2CCCCC2C2C(O)C3CCCCC3OC12

Scaffold Graph level:
CC1CC2CCCCC2C2C(C)C3CCCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Rotenoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Rotenoids

NP-Likeness score: 1.616

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Chemical structure download