Summary

IMPPAT Phytochemical identifier: IMPHY012997

Phytochemical name: Luteolin 3'-o-glucuronide

Synonymous chemical names:
luteolin-3'-o-glucuronide

External chemical identifiers:
CID:10253785, ChEBI:75726, ZINC:ZINC000034541040, FDASRS:1T6AU6J856, SureChEMBL:SCHEMBL829561, MolPort-039-338-461

---

Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O

InChI:
InChI=1S/C21H18O12/c22-8-4-10(24)15-11(25)6-12(31-14(15)5-8)7-1-2-9(23)13(3-7)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1

InChIKey:
JDOFZOKGCYYUER-ZFORQUDYSA-N

DeepSMILES:
OcccO)ccc6)occc6=O)))cccccc6)O[C@@H]O[C@H]C=O)O))[C@H][C@@H][C@H]6O))O))O)))))))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2cccc(OC3CCCCO3)c2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCC(OC3CCCCO3)C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC(CC3CCCCC3)C2)CC2CCCCC12

---

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: 1.871

---

Chemical structure download