Np mrd loader

Record Information
Version2.0
Created at2022-11-17 18:47:04 UTC
Updated at2024-09-03 04:14:44 UTC
NP-MRD IDNP0331152
Natural Product DOIhttps://doi.org/10.57994/0026
Secondary Accession NumbersNone
Natural Product Identification
Common NameChrysosporazine P
Description Based on a literature review very few articles have been published on CHEMBL5087730.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC29H32N2O5
Average Mass488.5840 Da
Monoisotopic Mass488.23112 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@]1(CC2=CC=CC=C2)CN(C(=O)C2=CC=CC=C2)[C@@]([H])(CC2=CC(OC)=C(O)C(OC)=C2)CN1C(C)=O
InChI Identifier
InChI=1S/C29H32N2O5/c1-20(32)30-18-25(15-22-16-26(35-2)28(33)27(17-22)36-3)31(29(34)23-12-8-5-9-13-23)19-24(30)14-21-10-6-4-7-11-21/h4-13,16-17,24-25,33H,14-15,18-19H2,1-3H3/t24-,25-/m0/s1
InChI KeyZYUBUHISUWBOME-DQEYMECFSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600 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 ID114779802
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound166634943
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available