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Record Information
Version2.0
Created at2022-09-06 22:33:36 UTC
Updated at2022-09-06 22:33:36 UTC
NP-MRD IDNP0239056
Secondary Accession NumbersNone
Natural Product Identification
Common Namelysikokianoside 1
DescriptionLysikokianoside 1 belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. lysikokianoside 1 is found in Cyclamen repandum and Lysimachia clethroides. lysikokianoside 1 was first documented in 2008 (PMID: 18335347). Based on a literature review very few articles have been published on lysikokianoside 1.
Structure
Thumb
Synonyms
ValueSource
3beta-O-{beta-D-xylopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->4)-{o-beta-D-glucopyranosyl-(1->2)}-alpha-L-arabinopyranosyl}-16alpha-hydroxy-13beta,28-epoxy oleananeChEBI
3b-O-{beta-D-xylopyranosyl-(1->2)-O-b-D-glucopyranosyl-(1->4)-{o-b-D-glucopyranosyl-(1->2)}-a-L-arabinopyranosyl}-16a-hydroxy-13b,28-epoxy oleananeGenerator
3Β-O-{beta-D-xylopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->4)-{o-β-D-glucopyranosyl-(1->2)}-α-L-arabinopyranosyl}-16α-hydroxy-13β,28-epoxy oleananeGenerator
Chemical FormulaC52H86O21
Average Mass1047.2390 Da
Monoisotopic Mass1046.56616 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1
InChI Identifier
InChI=1S/C52H86O21/c1-46(2)14-15-51-22-67-52(29(51)16-46)13-9-28-48(5)11-10-31(47(3,4)27(48)8-12-49(28,6)50(52,7)17-30(51)56)71-44-40(73-43-39(64)36(61)33(58)24(18-53)68-43)35(60)26(21-66-44)70-45-41(37(62)34(59)25(19-54)69-45)72-42-38(63)32(57)23(55)20-65-42/h23-45,53-64H,8-22H2,1-7H3/t23-,24-,25-,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,48+,49-,50+,51-,52+/m1/s1
InChI KeyGQENXAKENMICMF-UXYUNAJASA-N
Experimental Spectra
Not Available
Predicted Spectra
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Cyclamen repandumLOTUS Database
Lysimachia clethroidesLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTriterpenoids
Direct ParentTriterpenoids
Alternative Parents
Substituents
  • Triterpenoid
  • Oligosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Oxepane
  • Oxane
  • Cyclic alcohol
  • Tetrahydrofuran
  • Secondary alcohol
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Ether
  • Dialkyl ether
  • Acetal
  • Alcohol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Primary alcohol
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID23327268
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound44593371
PDB IDNot Available
ChEBI ID69611
Good Scents IDNot Available
References
General References
  1. Tian LJ, Yang NY, Chen WQ: Triterpene saponins from Lysimachia christinae. J Asian Nat Prod Res. 2008 Mar-Apr;10(3-4):291-6. doi: 10.1080/10286020701605265. [PubMed:18335347 ]
  2. LOTUS database [Link]