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CHEBI:156320 - mangicol A

ChEBI IDCHEBI:156320
ChEBI Namemangicol A
Stars
DefinitionA sesterterpenoid natural product found in the fungus Fusarium heterosporum. It exhibits significant antiinflammatory activity in the PMA-induced mouse ear edema model.
Last Modified14 April 2021
SubmitterMartin Larralde
DownloadsMolfile
FormulaC25H42O5
Net Charge0
Average Mass422.606
Monoisotopic Mass422.30322
SMILES[H][C@@]12CC[C@H](C)[C@]13C(=C[C@@]1(C)CC[C@](C)(C[C@H](O)[C@H](O)[C@@](C)(O)CO)[C@@]21[H])[C@@H](C)C[C@H]3O
InChIInChI=1S/C25H42O5/c1-14-10-19(28)25-15(2)6-7-16(25)20-22(3,11-17(14)25)8-9-23(20,4)12-18(27)21(29)24(5,30)13-26/h11,14-16,18-21,26-30H,6-10,12-13H2,1-5H3/t14-,15-,16-,18-,19+,20-,21-,22+,23+,24-,25+/m0/s1
InChIKeyKJHICOOTWQEHPN-DVMFOLSNSA-N
Species of MetaboliteComponentSourceComments
Fusarium heterosporum (ncbitaxon:42747) - PubMed (10956462)
Fusarium equiseti (ncbitaxon:61235) - DOI (10.1055/s-0035-1556229) Strain: CNC-477
Roles Classification
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
mangicol A (CHEBI:156320) has role anti-inflammatory agent (CHEBI:67079)
mangicol A (CHEBI:156320) has role fungal metabolite (CHEBI:76946)
mangicol A (CHEBI:156320) has role marine metabolite (CHEBI:76507)
mangicol A (CHEBI:156320) is a carbopolycyclic compound (CHEBI:35294)
mangicol A (CHEBI:156320) is a pentol (CHEBI:37205)
mangicol A (CHEBI:156320) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
5-deoxy-5-[(3S,3aR,4R,6S,7aR,10R,10aR,10bS)-4-hydroxy-3,6,7a,10-tetramethyl-1,2,3,4,5,6,7a,8,9,10,10a,10b-dodecahydrocyclopenta[d]-s-indacen-10-yl]-2-C-methyl-L-arabinitol
Manual XrefsDatabases
8677759ChemSpider
Citations