Np mrd loader

Record Information
Version2.0
Created at2024-09-11 00:59:42 UTC
Updated at2024-09-11 00:59:42 UTC
NP-MRD IDNP0335306
Secondary Accession NumbersNone
Natural Product Identification
Common Name3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside]
Description Based on a literature review very few articles have been published on 3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside].
Structure
Thumb
SynonymsNot Available
Chemical FormulaC30H36O16
Average Mass652.6020 Da
Monoisotopic Mass652.20034 Da
IUPAC Name5-hydroxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
Traditional Name5-hydroxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CAS Registry NumberNot Available
SMILES
COC1=CC(=CC(OC)=C1OC)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1
InChI Identifier
InChI=1/C30H36O16/c1-11-22(33)24(35)26(37)29(43-11)42-10-20-23(34)25(36)27(38)30(46-20)44-13-7-14(31)21-15(32)9-16(45-17(21)8-13)12-5-18(39-2)28(41-4)19(6-12)40-3/h5-9,11,20,22-27,29-31,33-38H,10H2,1-4H3
InChI KeyQVXXLWMUTXHCGR-UHFFFAOYNA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
ClassificationNot classified
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
logP-0.45ChemAxon
pKa (Strongest Acidic)7.31ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area232.52 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity153.34 m³·mol⁻¹ChemAxon
Polarizability64.74 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available