Summary

IMPPAT Phytochemical identifier: IMPHY001226

Phytochemical name: Hexahydroxydiphenic acid

Synonymous chemical names:
hexahydroxydiphenic acid

External chemical identifiers:
CID:10315050, ZINC:ZINC000015274414, SureChEMBL:SCHEMBL674849

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Chemical structure information

SMILES:
OC(=O)c1cc(O)c(c(c1c1c(cc(c(c1O)O)O)C(=O)O)O)O

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

InChIKey:
MFTSECOLKFLUSD-UHFFFAOYSA-N

DeepSMILES:
OC=O)cccO)ccc6cccccc6O))O))O)))C=O)O)))))O))O

Functional groups:
cC(=O)O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCCCC2)CC1

Scaffold Graph level:
C1CCC(C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Tannins

ClassyFire Subclass: Hydrolyzable tannins

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP Classifier Class: Gallotannins

NP-Likeness score: 0.764

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Chemical structure download