Summary

IMPPAT Phytochemical identifier: IMPHY000525

Phytochemical name: Dillapionic acid

Synonymous chemical names:
dillapionic acid

Chemical structure information

SMILES:
COc1c(cc2c(c1OC)OCO2)C(=O)O

InChI:
InChI=1S/C10H10O6/c1-13-7-5(10(11)12)3-6-8(9(7)14-2)16-4-15-6/h3H,4H2,1-2H3,(H,11,12)

InChIKey:
FRDRMVXVIUVAPV-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))OCO5))))))C=O)O

Functional groups:
c1cOCO1, cC(=O)O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OCO2

Scaffold Graph/Node level:
C1CCC2OCOC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP Classifier Class: Simple phenolic acids

NP-Likeness score: 0.703

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Chemical structure download