CHEBI:194354 - 11-O-acetylcyathatriol

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ChEBI Name 11-O-acetylcyathatriol
ChEBI ID CHEBI:194354
ChEBI ASCII Name 11-O-acetylcyathatriol
Definition A tricyclic diterpenoid with formula C22H34O4. It is produced by the bird's nest fungus Cyathus earlei.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C22H34O4
Net Charge 0
Average Mass 362.510
Monoisotopic Mass 362.24571
InChI InChI=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
InChIKey AOIDBNSVSJUUHH-PXIKZMAHSA-N
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)=C21
Metabolite of Species Details
Cyathus earlei (NCBI:txid1983729) See: DOI
Cyathus africanus (NCBI:txid380649) See: PubMed
Hericium erinaceus (NCBI:txid91752) of strain YB4-6237 See: PubMed
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonyms Sources
(3aR)-1-isopropyl-3aβ,5aα-dimethyl-8-(hydroxymethyl)-9α-acetoxy-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene ChEBI
11-O-acetylcyathatriol UniProt
Manual Xref Database
CPD-26041 MetaCyc
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Citations Waiting for Citations Types Sources
15322365 PubMed citation Europe PMC
23075884 PubMed citation Europe PMC
27222252 PubMed citation Europe PMC
31535864 PubMed citation SUBMITTER
Last Modified
10 February 2023