Np mrd loader

Record Information
Version2.0
Created at2024-09-11 15:35:15 UTC
Updated at2024-09-11 15:35:15 UTC
NP-MRD IDNP0338462
Secondary Accession NumbersNone
Natural Product Identification
Common NameSodium copper chlorophyllin
Description Sodium copper chlorophyllin was first documented in 2024 (PMID: 39276882). Based on a literature review a small amount of articles have been published on Sodium copper chlorophyllin (PMID: 39072923) (PMID: 38801122) (PMID: 38642544) (PMID: 38544930).
Structure
Thumb
SynonymsNot Available
Chemical FormulaC34H34CuN4O6
Average Mass658.2140 Da
Monoisotopic Mass657.17743 Da
IUPAC Namecopper(2+) 10-carboxy-14-(2-carboxyethyl)-12-(carboxymethyl)-20-ethenyl-5-ethyl-4,9,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,16(22),17,19-decaene-21,23-diide
Traditional Namecopper(2+) 10-carboxy-14-(2-carboxyethyl)-12-(carboxymethyl)-20-ethenyl-5-ethyl-4,9,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,16(22),17,19-decaene-21,23-diide
CAS Registry NumberNot Available
SMILES
[Cu++].CCC1=C(C)C2=N\C\1=C/C1=C(C)C(C(O)=O)=C([N-]1)\C(CC(O)=O)=C1/N=C(/C=C3\[N-]/C(=C\2)C(C=C)=C3C)C(C)C1CCC(O)=O
InChI Identifier
InChI=1/C34H36N4O6.Cu/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2
InChI KeyZDOYGJNADZJRFB-UHFFFAOYNA-L
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
logP4.18ChemAxon
pKa (Strongest Acidic)3.05ChemAxon
pKa (Strongest Basic)5.49ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area163.46 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity167.12 m³·mol⁻¹ChemAxon
Polarizability64.71 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityYesChemAxon
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 References
  1. Mishra M, Gupta D, Preeti, Deb D: Mitigating CYP3A4-mediated aflatoxin toxicity with algal-derived Sodium Copper Chlorophyllin: Production and In-silico insights. Int J Biol Macromol. 2024 Sep 12;280(Pt 1):135594. doi: 10.1016/j.ijbiomac.2024.135594. [PubMed:39276882 ]
  2. Shinde VR, Khatun S, Thanekar AM, Bhattacharjee B, Rengan AK: Sodium copper chlorophyllin-loaded chitosan nanoparticle-based photodynamic therapy for B16 melanoma cancer cells. Chem Biol Drug Des. 2024 Aug;104(2):e14594. doi: 10.1111/cbdd.14594. [PubMed:39072923 ]
  3. Liang J, Ling J, Sun D, Wu G, Ouyang XK, Wang N, Yang G: Dextran-Based Antibacterial Hydrogel Dressings for Accelerating Infected Wound Healing by Reducing Inflammation Levels. Adv Healthc Mater. 2024 Sep;13(22):e2400494. doi: 10.1002/adhm.202400494. Epub 2024 Jun 3. [PubMed:38801122 ]
  4. Jin X, Zheng M: Orange carbon dots based smart sensing platforms for rapid, visual, quantitative identification of sodium copper chlorophyllin. Talanta. 2024 Aug 1;275:126090. doi: 10.1016/j.talanta.2024.126090. Epub 2024 Apr 10. [PubMed:38642544 ]
  5. Zeng Q, Peng Y, Zhou X, Zhang J, Yang Y, Xu X, Guan B, Zhang Y, Hu X, Chen X: Label-free Raman imaging for screening of anti-inflammatory function food. Food Chem X. 2024 Mar 16;22:101297. doi: 10.1016/j.fochx.2024.101297. eCollection 2024 Jun 30. [PubMed:38544930 ]