Np mrd loader

Record Information
Version2.0
Created at2024-09-11 03:56:13 UTC
Updated at2024-09-11 03:56:13 UTC
NP-MRD IDNP0335935
Secondary Accession NumbersNone
Natural Product Identification
Common NameLucyobroside
Description Based on a literature review very few articles have been published on Lucyobroside.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC39H73NO9
Average Mass700.0110 Da
Monoisotopic Mass699.52853 Da
IUPAC Name(Z)-2-hydroxy-N-[(4E,8E)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadeca-4,8-dien-2-yl]tetradecanimidic acid
Traditional Name(Z)-2-hydroxy-N-[(4E,8E)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadeca-4,8-dien-2-yl]tetradecanimidic acid
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCC(O)C(\O)=N\C(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CC\C=C\CCCCCCCCCC
InChI Identifier
InChI=1/C39H73NO9/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-32(42)31(30-48-39-37(46)36(45)35(44)34(29-41)49-39)40-38(47)33(43)28-26-24-22-19-14-12-10-8-6-4-2/h18,20,25,27,31-37,39,41-46H,3-17,19,21-24,26,28-30H2,1-2H3,(H,40,47)/b20-18+,27-25+
InChI KeyILIBLZKROFPFRG-OQHYMBEVNA-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
logP8.24ChemAxon
pKa (Strongest Acidic)3.98ChemAxon
pKa (Strongest Basic)1.72ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area172.43 ŲChemAxon
Rotatable Bond Count31ChemAxon
Refractivity196.72 m³·mol⁻¹ChemAxon
Polarizability86.24 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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