Summary

IMPPAT Phytochemical identifier: IMPHY004767

Phytochemical name: 6-Hydroxyluteolin 7-glucuronide

Synonymous chemical names:
6-hydroxyluteolin 7-glucuronide

External chemical identifiers:
CID:44258485

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Chemical structure information

SMILES:
OC(=O)C1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccc(c(c2)O)O)C([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C21H18O13/c22-7-2-1-6(3-8(7)23)10-4-9(24)13-11(32-10)5-12(14(25)15(13)26)33-21-18(29)16(27)17(28)19(34-21)20(30)31/h1-5,16-19,21-23,25-29H,(H,30,31)/t16-,17-,18?,19?,21+/m0/s1

InChIKey:
OEMKKZWJXLXULA-ZAJNMQHRSA-N

DeepSMILES:
OC=O)CO[C@@H]Occcoccc=O)c6cc%10O))O)))))cccccc6)O))O)))))))))))C[C@H][C@@H]6O))O))O

Functional groups:
CC(=O)O, CO, c=O, cO, cO[C@@H](C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC(OC3CCCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC(CC3CCCCC3)CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.892

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Chemical structure download