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CHEBI:194354 - 11-O-acetylcyathatriol

ChEBI IDCHEBI:194354
ChEBI Name11-O-acetylcyathatriol
Stars
ASCII Name11-O-acetylcyathatriol
DefinitionA tricyclic diterpenoid with formula C22H34O4. It is produced by the bird's nest fungus Cyathus earlei.
Last Modified10 February 2023
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILES[H][C@]12C[C@@H](OC(C)=O)C(CO)=C[C@H](O)[C@]1(C)CC[C@@]1(C)CCC(C(C)C)=C12
InChIInChI=1S/C22H34O4/c1-13(2)16-6-7-21(4)8-9-22(5)17(20(16)21)11-18(26-14(3)24)15(12-23)10-19(22)25/h10,13,17-19,23,25H,6-9,11-12H2,1-5H3/t17-,18-,19+,21-,22-/m1/s1
InChIKeyAOIDBNSVSJUUHH-PXIKZMAHSA-N
Species of MetaboliteComponentSourceComments
Cyathus africanus (ncbitaxon:380649) - PubMed (23075884)
Hericium erinaceus (ncbitaxon:91752) - PubMed (15322365) Strain: YB4-6237
Cyathus earlei (ncbitaxon:1983729) - DOI (10.1139/v79-543)
Roles Classification
Biological Role:
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)
11-O-acetylcyathatriol (CHEBI:194354) has functional parent cyathatriol (CHEBI:194349)
11-O-acetylcyathatriol (CHEBI:194354) has role anti-inflammatory agent (CHEBI:67079)
11-O-acetylcyathatriol (CHEBI:194354) has role fungal metabolite (CHEBI:76946)
11-O-acetylcyathatriol (CHEBI:194354) is a acetate ester (CHEBI:47622)
11-O-acetylcyathatriol (CHEBI:194354) is a carbotricyclic compound (CHEBI:38032)
11-O-acetylcyathatriol (CHEBI:194354) is a diol (CHEBI:23824)
11-O-acetylcyathatriol (CHEBI:194354) is a polycyclic olefin (CHEBI:35714)
11-O-acetylcyathatriol (CHEBI:194354) is a primary allylic alcohol (CHEBI:134394)
11-O-acetylcyathatriol (CHEBI:194354) is a secondary allylic alcohol (CHEBI:134396)
11-O-acetylcyathatriol (CHEBI:194354) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
(3aR,5aR,6S,9R,10aR)-6-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-(propan-2-yl)-2,3,3a,4,5,5a,6,9,10,10a-decahydrocyclohepta[e]inden-9-yl acetate
Synonym  Source
(3aR)-1-isopropyl-3aβ,5aα-dimethyl-8-(hydroxymethyl)-9α-acetoxy-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indeneChEBI
UniProt Name  Source
11-O-acetylcyathatriolUniProt
Manual XrefsDatabases
CPD-26041MetaCyc
Citations