Summary

IMPPAT Phytochemical identifier: IMPHY000389

Phytochemical name: Oleoside

Synonymous chemical names:
oleoside

External chemical identifiers:
CID:101042548, ChEMBL:CHEMBL4174698, ZINC:ZINC000096023830, MolPort-039-052-603

---

Chemical structure information

SMILES:
C/C=C1/[C@@H](OC=C([C@H]1CC(=O)O)C(=O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5,7,9,11-13,15-17,20-22H,3-4H2,1H3,(H,18,19)(H,23,24)/b6-2+/t7-,9+,11+,12-,13+,15-,16-/m0/s1

InChIKey:
PNMNSRMFRJNZFD-IPEIANHJSA-N

DeepSMILES:
C/C=C/[C@@H]OC=C[C@H]/6CC=O)O))))C=O)O)))))O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O

Functional groups:
C/C=C1CC(C(=O)O)=CO[C@H]1O[C@@H](C)OC, CC(=O)O, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC=COC1OC1CCCCO1

Scaffold Graph/Node level:
CC1CCCOC1OC1CCCCO1

Scaffold Graph level:
CC1CCCCC1CC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Secoiridoid monoterpenoids

NP-Likeness score: 2.561

---

Chemical structure download