CHEBI:6888 - 6α-methylprednisolone

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ChEBI Name 6α-methylprednisolone
ChEBI ID CHEBI:6888
ChEBI ASCII Name 6alpha-methylprednisolone
Definition The 6α-stereoisomer of 6-methylprednisolone.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H30O5
Net Charge 0
Average Mass 374.47060
Monoisotopic Mass 374.209
InChI InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
InChIKey VHRSUDSXCMQTMA-PJHHCJLFSA-N
SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): adrenergic agent
Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter.
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.
Application(s): anti-inflammatory drug
A substance that reduces or suppresses inflammation.
neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
adrenergic agent
Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter.
antiemetic
A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6α-methylprednisolone (CHEBI:6888) has role adrenergic agent (CHEBI:37962)
6α-methylprednisolone (CHEBI:6888) has role anti-inflammatory drug (CHEBI:35472)
6α-methylprednisolone (CHEBI:6888) has role antiemetic (CHEBI:50919)
6α-methylprednisolone (CHEBI:6888) has role environmental contaminant (CHEBI:78298)
6α-methylprednisolone (CHEBI:6888) has role neuroprotective agent (CHEBI:63726)
6α-methylprednisolone (CHEBI:6888) has role xenobiotic (CHEBI:35703)
6α-methylprednisolone (CHEBI:6888) is a 6-methylprednisolone (CHEBI:50366)
Incoming methylprednisolone acetate (CHEBI:6889) has functional parent 6α-methylprednisolone (CHEBI:6888)
IUPAC Name
11β,17,21-trihydroxy-6α-methylpregna-1,4-diene-3,20-dione
INNs Sources
methylprednisolone KEGG DRUG
methylprednisolonum ChemIDplus
metilprednisolona ChemIDplus
Synonyms Sources
(6α,11β)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione NIST Chemistry WebBook
1-dehydro-6α-methylhydrocortisone ChemIDplus
6α-methyl-11β,17α,21-triol-1,4-pregnadiene-3,20-dione ChemIDplus
Δ1-6α-methylhydrocortisone NIST Chemistry WebBook
Methylprednisolon ChEBI
Brand Names Sources
Medrate ChemIDplus
Medrol KEGG DRUG
Medrone DrugBank
Solomet DrugBank
Urbason DrugBank
Database Links Databases
1768 DrugCentral
D00407 KEGG DRUG
DB00959 DrugBank
HMDB0015094 HMDB
Methylprednisolone Wikipedia
US2897218 Patent
US3053832 Patent
View more database links
Registry Numbers Types Sources
2340300 Beilstein Registry Number Beilstein
2340300 Reaxys Registry Number Reaxys
83-43-2 CAS Registry Number NIST Chemistry WebBook
83-43-2 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
25232411 PubMed citation Europe PMC
Last Modified
22 February 2017
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag