Summary

IMPPAT Phytochemical identifier: IMPHY004367

Phytochemical name: Luteic acid

Synonymous chemical names:
luteic acid

External chemical identifiers:
CID:5319108, SureChEMBL:SCHEMBL13637035

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Chemical structure information

SMILES:
Oc1cc2c(=O)oc3c(c2c(c1O)O)c(cc(c3O)O)C(=O)O

InChI:
InChI=1S/C14H8O9/c15-5-2-4-7(11(19)9(5)17)8-3(13(20)21)1-6(16)10(18)12(8)23-14(4)22/h1-2,15-19H,(H,20,21)

InChIKey:
FLZGFQFYDGHWLR-UHFFFAOYSA-N

DeepSMILES:
Occcc=O)occc6cc%10O))O)))cccc6O))O)))C=O)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2ccccc2c2ccccc12

Scaffold Graph/Node level:
OC1OC2CCCCC2C2CCCCC12

Scaffold Graph level:
CC1CC2CCCCC2C2CCCCC12

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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: 1.392

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Chemical structure download