Np mrd loader

Record Information
Version2.0
Created at2022-11-17 18:36:30 UTC
Updated at2024-09-03 04:14:44 UTC
NP-MRD IDNP0331147
Natural Product DOIhttps://doi.org/10.57994/0021
Secondary Accession NumbersNone
Natural Product Identification
Common NameAzachrysosporazine C1
Description Based on a literature review very few articles have been published on CHEMBL5078371.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC28H27N3O5
Average Mass485.5400 Da
Monoisotopic Mass485.19507 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@]1(CC2=CC=CC=C2)CN2C(=O)C3=C(N=CC=C3)[C@]([H])(C3=CC(OC)=C4OCOC4=C3)[C@@]2([H])CN1C(C)=O
InChI Identifier
InChI=1S/C28H27N3O5/c1-17(32)30-15-22-25(19-12-23(34-2)27-24(13-19)35-16-36-27)26-21(9-6-10-29-26)28(33)31(22)14-20(30)11-18-7-4-3-5-8-18/h3-10,12-13,20,22,25H,11,14-16H2,1-2H3/t20-,22+,25+/m0/s1
InChI KeyJSMHBJDTZOCMJO-NIRIFSCTSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)amilahasini@gmail.comNot AvailableNot Available2022-11-17View Spectrum
ROESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)amilahasini@gmail.comNot AvailableNot Available2022-11-17View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)amilahasini@gmail.comNot AvailableNot Available2022-11-17View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)amilahasini@gmail.comNot AvailableNot Available2022-11-17View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)amilahasini@gmail.comNot AvailableNot Available2022-11-17View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)amilahasini@gmail.comNot AvailableNot Available2022-11-17View Spectrum
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
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
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID114779797
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound166629415
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available