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CHEBI:168396 - mycophenolic acid
| Formula | C17H20O6 |
| Net Charge | 0 |
| Average Mass | 320.341 |
| Monoisotopic Mass | 320.12599 |
| SMILES | COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2 |
| InChI | InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+ |
| InChIKey | HPNSFSBZBAHARI-RUDMXATFSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | mycotoxin Poisonous substance produced by fungi. EC 1.1.1.205 (IMP dehydrogenase) inhibitor An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of IMP dehydrogenase (EC 1.1.1.205), so blocking de novo biosynthesis of purine nucleotides. anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. 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. Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| 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. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| mycophenolic acid (CHEBI:168396) has functional parent hex-4-enoic acid (CHEBI:38355) |
| mycophenolic acid (CHEBI:168396) has role Penicillium metabolite (CHEBI:76964) |
| mycophenolic acid (CHEBI:168396) has role anticoronaviral agent (CHEBI:149553) |
| mycophenolic acid (CHEBI:168396) has role antimicrobial agent (CHEBI:33281) |
| mycophenolic acid (CHEBI:168396) has role antineoplastic agent (CHEBI:35610) |
| mycophenolic acid (CHEBI:168396) has role EC 1.1.1.205 (IMP dehydrogenase) inhibitor (CHEBI:53746) |
| mycophenolic acid (CHEBI:168396) has role environmental contaminant (CHEBI:78298) |
| mycophenolic acid (CHEBI:168396) has role immunosuppressive agent (CHEBI:35705) |
| mycophenolic acid (CHEBI:168396) has role mycotoxin (CHEBI:25442) |
| mycophenolic acid (CHEBI:168396) has role xenobiotic (CHEBI:35703) |
| mycophenolic acid (CHEBI:168396) is a 2-benzofurans (CHEBI:38831) |
| mycophenolic acid (CHEBI:168396) is a monocarboxylic acid (CHEBI:25384) |
| mycophenolic acid (CHEBI:168396) is a phenols (CHEBI:33853) |
| mycophenolic acid (CHEBI:168396) is a γ-lactone (CHEBI:37581) |
| mycophenolic acid (CHEBI:168396) is conjugate acid of mycophenolate (CHEBI:62932) |
| Incoming Relation(s) |
| mycophenolate mofetil (CHEBI:8764) has functional parent mycophenolic acid (CHEBI:168396) |
| mycophenolic acid O-acyl-glucuronide (CHEBI:64689) has functional parent mycophenolic acid (CHEBI:168396) |
| mycophenolate (CHEBI:62932) is conjugate base of mycophenolic acid (CHEBI:168396) |
| IUPAC Name |
|---|
| (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid |
| INNs | Source |
|---|---|
| mycophenolic acid | KEGG DRUG |
| acide mycophenolique | ChemIDplus |
| acido micofenolico | ChemIDplus |
| acidum mycophenolicum | ChemIDplus |
| Synonyms | Source |
|---|---|
| (E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid | ChemIDplus |
| Micofenolico acido | ChemIDplus |
| Mycophenolate | ChemIDplus |
| Mycophenolsäure | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:318158 | Reaxys |
| CAS:24280-93-1 | KEGG DRUG |
| CAS:24280-93-1 | DrugBank |
| CAS:24280-93-1 | ChemIDplus |
| Citations |
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