Chlorophyll B

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
Weight
Average: 907.492
Monoisotopic: 906.51457769
Chemical Formula
C55H70MgN4O6
Synonyms
Not Available

Pharmacology

Indication

Not Available

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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
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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
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
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility0.000106 mg/mLALOGPS
logP8.04ALOGPS
logP13.93Chemaxon
logS-7ALOGPS
pKa (Strongest Acidic)11.75Chemaxon
pKa (Strongest Basic)4.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area138.3 Å2Chemaxon
Rotatable Bond Count23Chemaxon
Refractivity262.97 m3·mol-1Chemaxon
Polarizability106.95 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a4i-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