Summary

IMPPAT Phytochemical identifier: IMPHY014405

Phytochemical name: Lantanoside

Synonymous chemical names:
lantanoside

External chemical identifiers:
CID:44258471

---

Chemical structure information

SMILES:
COc1c(O[C@@H]2OC(COC(=O)C)[C@H]([C@@H](C2O)O)O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)OC

InChI:
InChI=1S/C25H26O12/c1-11(26)34-10-18-20(28)22(30)23(31)25(37-18)36-17-9-16-19(21(29)24(17)33-3)14(27)8-15(35-16)12-4-6-13(32-2)7-5-12/h4-9,18,20,22-23,25,28-31H,10H2,1-3H3/t18?,20-,22+,23?,25-/m1/s1

InChIKey:
FHBWUJAADRENKL-YYBMTHDGSA-N

DeepSMILES:
COccO[C@@H]OCCOC=O)C))))[C@H][C@@H]C6O))O))O))))))cccc6O))c=O)cco6)cccccc6))OC

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

---

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

---

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: 1.735

---

Chemical structure download