Summary

IMPPAT Phytochemical identifier: IMPHY012681

Phytochemical name: Baishouwubenzophenone

Synonymous chemical names:
baishouwubenzophenone

External chemical identifiers:
CID:3082748

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Chemical structure information

SMILES:
CC(=O)c1ccc(c(c1O)C(=O)c1c(O)ccc(c1C)O)O

InChI:
InChI=1S/C16H14O6/c1-7-10(18)5-6-11(19)13(7)16(22)14-12(20)4-3-9(8(2)17)15(14)21/h3-6,18-21H,1-2H3

InChIKey:
VWHLSTXEUJVCHE-UHFFFAOYSA-N

DeepSMILES:
CC=O)cccccc6O))C=O)ccO)cccc6C))O))))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(c1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(C1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(C1CCCCC1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzophenones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Benzophenones

NP-Likeness score: 0.748

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Chemical structure download