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CHEBI:209932 - Merochlorin E

Default Structure
ChEBI IDCHEBI:209932
ChEBI NameMerochlorin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33ClO5
Net Charge0
Average Mass460.998
Monoisotopic Mass460.20165
SMILESCC1=CCCC(C)(C)[C@@H]1CC(C[C@@]1(O)C(=O)c2cc(O)cc(O)c2C(=O)[C@@]1(C)Cl)=C(C)C
InChIInChI=1S/C26H33ClO5/c1-14(2)16(10-19-15(3)8-7-9-24(19,4)5)13-26(32)22(30)18-11-17(28)12-20(29)21(18)23(31)25(26,6)27/h8,11-12,19,28-29,32H,7,9-10,13H2,1-6H3/t19-,25-,26-/m1/s1
InChIKeyQYGRDYUHWNHSEG-WGURPXDASA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (31298867)
Roles Classification
Biological Roles:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
fat-soluble vitamin (role)  Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
Applications:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
anti-arrhythmia drug  A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.
antipsoriatic  A drug used to treat psoriasis.
dermatologic drug  A drug used to treat or prevent skin disorders or for the routine care of skin.
anticoagulant  An agent that prevents blood clotting.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antirheumatic drug  A drug used to treat rheumatoid arthritis.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
Merochlorin E (CHEBI:209932) is a vitamin K (CHEBI:28384)
IUPAC Name 
(2R,3S)-3-chloro-2,5,7-trihydroxy-3-methyl-2-[3-methyl-2-[[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl]but-2-enyl]naphthalene-1,4-dione
Manual XrefsDatabases
77001836ChemSpider