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Record Information
Version2.0
Created at2022-05-31 16:04:46 UTC
Updated at2022-05-31 16:04:46 UTC
NP-MRD IDNP0137717
Secondary Accession NumbersNone
Natural Product Identification
Common Name4'-O-Glucosylvitexin
DescriptionVitexin 4'-o-glucoside belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Thus, vitexin 4'-O-glucoside is considered to be a flavonoid. 4'-O-Glucosylvitexin was first documented in 2020 (PMID: 33240600). Based on a literature review very few articles have been published on Vitexin 4'-o-glucoside.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC27H30O15
Average Mass594.5220 Da
Monoisotopic Mass594.15847 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number38950-94-6
SMILES
[H][C@]1(CO)O[C@@]([H])(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O2)C(=C(O)C=C3O)[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
InChI Identifier
InChI=1S/C27H30O15/c28-7-15-19(33)21(35)23(37)26(41-15)18-12(31)5-11(30)17-13(32)6-14(40-25(17)18)9-1-3-10(4-2-9)39-27-24(38)22(36)20(34)16(8-29)42-27/h1-6,15-16,19-24,26-31,33-38H,7-8H2/t15-,16-,19-,20-,21+,22+,23-,24-,26+,27-/m1/s1
InChI KeyCQJPSSJEHVNDFL-WIQAIWCDSA-N
Experimental Spectra
Not Available
Predicted Spectra
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid O-glycosides
Alternative Parents
Substituents
  • Flavonoid o-glycoside
  • Flavonoid-4p-o-glycoside
  • Flavonoid-8-c-glycoside
  • Flavonoid c-glycoside
  • Hydroxyflavonoid
  • Flavone
  • 7-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • Phenolic glycoside
  • O-glycosyl compound
  • Glycosyl compound
  • Chromone
  • C-glycosyl compound
  • 1-benzopyran
  • Benzopyran
  • Phenoxy compound
  • Phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Pyranone
  • Benzenoid
  • Pyran
  • Oxane
  • Monosaccharide
  • Monocyclic benzene moiety
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Ether
  • Dialkyl ether
  • Acetal
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
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 IDC00006216
Chemspider ID57620832
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound15596617
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Leyva-Padron G, Vanegas-Espinoza PE, Evangelista-Lozano S, Del Villar-Martinez AA, Bazaldua C: Chemical analysis of callus extracts from toxic and non-toxic varieties of Jatropha curcas L. PeerJ. 2020 Nov 11;8:e10172. doi: 10.7717/peerj.10172. eCollection 2020. [PubMed:33240600 ]