Summary

IMPPAT Phytochemical identifier: IMPHY010211

Phytochemical name: Paulownioside

Synonymous chemical names:
paulownioside

Chemical structure information

SMILES:
OCC1(O)CCC2C1C(OC=C2)OC1OC(O)(C(O)O)C(C(C1O)O)O

InChI:
InChI=1S/C15H24O11/c16-5-14(22)3-1-6-2-4-24-11(7(6)14)25-12-9(18)8(17)10(19)15(23,26-12)13(20)21/h2,4,6-13,16-23H,1,3,5H2

InChIKey:
HRCBFNSQUDOYRQ-UHFFFAOYSA-N

DeepSMILES:
OCCO)CCCC5COC=C6)))OCOCO)CO)O))CCC6O))O))O

Functional groups:
CC(OC1CCC=CO1)OC(C)(O)C(O)O, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCC2C(OC2CCCCO2)O1

Scaffold Graph/Node level:
C1CCC(OC2OCCC3CCCC32)OC1

Scaffold Graph level:
C1CCC(CC2CCCC3CCCC32)CC1

---

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: Iridoids monoterpenoids

NP-Likeness score: 2.716

---

Chemical structure download