Summary

IMPPAT Phytochemical identifier: IMPHY001655

Phytochemical name: Dehydrodigallic acid

Synonymous chemical names:
dehydrodigallic acid, dehydrodigallic-acid

External chemical identifiers:
CID:14057208, ZINC:ZINC000013434317

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Chemical structure information

SMILES:
Oc1cc(cc(c1O)Oc1c(cc(c(c1O)O)O)C(=O)O)C(=O)O

InChI:
InChI=1S/C14H10O10/c15-6-1-4(13(20)21)2-8(9(6)17)24-12-5(14(22)23)3-7(16)10(18)11(12)19/h1-3,15-19H,(H,20,21)(H,22,23)

InChIKey:
UFTJIVPLVDDULX-UHFFFAOYSA-N

DeepSMILES:
Occcccc6O))Occcccc6O))O))O)))C=O)O)))))))C=O)O

Functional groups:
cC(=O)O, cO, cOc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Oc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(OC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Diphenylethers

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP Classifier Class: Gallotannins

NP-Likeness score: 1.087

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Chemical structure download