Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Chlorophyll B
- DrugBank Accession Number
- DB04506
- Background
A light, silvery, metallic element. It has the atomic symbol Mg, atomic number 12, and atomic weight 24.31. Its salts are essential in nutrition, being required for the activity of many enzymes, especially those concerned with oxidative phosphorylation. It is a component of both intra- and extracellular fluids and is excreted in the urine and feces. Deficiency causes irritability of the nervous system with tetany, vasodilation, convulsions, tremors, depression, and psychotic behavior. (From Dorland, 27th ed)
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Chlorophyll B (DB04506)
- Weight
- Average: 907.492
Monoisotopic: 906.51457769 - Chemical Formula
- C55H70MgN4O6
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as chlorins. These are large heterocyclic aromatic ring systems consisting, at the core, of three pyrroles and one pyrroline coupled through four methine linkages.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Tetrapyrroles and derivatives
- Sub Class
- Chlorins
- Direct Parent
- Chlorins
- Alternative Parents
- Metallotetrapyrroles / Phorbines / Diterpenoids / Aryl alkyl ketones / Aryl-aldehydes / Fatty acid esters / Substituted pyrroles / 1,3-dicarbonyl compounds / Dicarboxylic acids and derivatives / Methyl esters show 7 more
- Substituents
- 1,3-dicarbonyl compound / Aldehyde / Aromatic heteropolycyclic compound / Aryl alkyl ketone / Aryl ketone / Aryl-aldehyde / Azacycle / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester show 20 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- chlorophyll (CHEBI:27888)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 5712ZB110R
- CAS number
- 519-62-0
- InChI Key
- NSMUHPMZFPKNMZ-VBYMZDBQSA-M
- InChI
- InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1
- IUPAC Name
- magnesium(2+) (3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-3-(methoxycarbonyl)-17,21,26-trimethyl-4-oxo-22-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1^{5,8}.1^{10,13}.1^{15,18}.0^{2,6}]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaene-7,24-diide
- SMILES
- [Mg++].[H]C(=O)C1=C(CC)C2=N\C\1=C/C1=C(C=C)C(C)=C([N-]1)\C=C1/N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]1C)C1=C3[N-]/C(=C\2)C(C)=C3C(=O)[C@@H]1C(=O)OC
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0031146
- KEGG Compound
- C05307
- PubChem Compound
- 6450186
- PubChem Substance
- 46505079
- ChemSpider
- 9767935
- ChEBI
- 27888
- PDBe Ligand
- CHL
- Wikipedia
- Chlorophyll_b
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000106 mg/mL ALOGPS logP 8.04 ALOGPS logP 13.93 Chemaxon logS -7 ALOGPS pKa (Strongest Acidic) 11.75 Chemaxon pKa (Strongest Basic) 4.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 138.3 Å2 Chemaxon Rotatable Bond Count 23 Chemaxon Refractivity 262.97 m3·mol-1 Chemaxon Polarizability 106.95 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0a4i-0000000009-762f6554557c4bde4f5c - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52