Summary

IMPPAT Phytochemical identifier: IMPHY010737

Phytochemical name: Praecansone A

Synonymous chemical names:
praecansone a

Chemical structure information

SMILES:
CO/C(=CC(=O)c1ccccc1)/c1c(OC)cc2c(c1OC)C=CC(O2)(C)C

InChI:
InChI=1S/C23H24O5/c1-23(2)12-11-16-18(28-23)14-20(26-4)21(22(16)27-5)19(25-3)13-17(24)15-9-7-6-8-10-15/h6-14H,1-5H3/b19-13-

InChIKey:
CDFJITYOZNLONM-UYRXBGFRSA-N

DeepSMILES:
CO/C=CC=O)cccccc6))))))))/ccOC))cccc6OC)))C=CCO6)C)C

Functional groups:
cC(=O)/C=C(/c)OC, cC=CC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccc2c(c1)C=CCO2)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCC2OCCCC2C1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCC2CCCCC2C1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.628

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Chemical structure download