Summary

IMPPAT Phytochemical identifier: IMPHY004744

Phytochemical name: Apigenin 7-(2''-glucuronosyllactate)

Synonymous chemical names:
apigenin-7-(2-glucuronosyl-lactate)

External chemical identifiers:
CID:44257834

---

Chemical structure information

SMILES:
O=C(C(OC1OC(C(=O)O)C(C(C1O)O)O)C)Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(cc1)O

InChI:
InChI=1S/C24H22O13/c1-9(34-24-20(30)18(28)19(29)21(37-24)22(31)32)23(33)35-12-6-13(26)17-14(27)8-15(36-16(17)7-12)10-2-4-11(25)5-3-10/h2-9,18-21,24-26,28-30H,1H3,(H,31,32)

InChIKey:
RIEOGMJFSBPALR-UHFFFAOYSA-N

DeepSMILES:
O=CCOCOCC=O)O))CCC6O))O))O))))))C))OcccO)ccc6)occc6=O)))cccccc6))O

Functional groups:
CC(=O)O, CO, COC(C)OC, c=O, cO, cOC(C)=O, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(COC1CCCCO1)Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1

Scaffold Graph/Node level:
OC(COC1CCCCO1)OC1CCC2C(O)CC(C3CCCCC3)OC2C1

Scaffold Graph level:
CC(CCC1CCCCC1)CC1CCC2C(C)CC(C3CCCCC3)CC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.246

---

Chemical structure download