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CHEBI:195282 - xyloketal B

Default Structure
ChEBI IDCHEBI:195282
ChEBI Namexyloketal B
Stars
DefinitionA xyloketal with formula C20H26O5. It was initially isolated from the mangrove fungus Xylaria sp. from the South China sea coast.
Last Modified8 June 2023
SubmitterCeri
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILES[H][C@]12Cc3c(cc(O)c4c3O[C@@]3(C)OC[C@H](C)[C@@]3([H])C4)O[C@@]1(C)OC[C@@H]2C
InChIInChI=1S/C20H26O5/c1-10-9-23-20(4)14(10)5-12-16(21)7-17-13(18(12)25-20)6-15-11(2)8-22-19(15,3)24-17/h7,10-11,14-15,21H,5-6,8-9H2,1-4H3/t10-,11-,14+,15+,19+,20+/m0/s1
InChIKeyCCNANHBVUNZCKA-FCOFOHSNSA-N
Species of MetaboliteComponentSourceComments
Xylaria sp. 2508 (ncbitaxon:598750) - PubMed (11559170)
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
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.
Applications:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
antiatherosclerotic agent  A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
xyloketal B (CHEBI:195282) has role anti-inflammatory agent (CHEBI:67079)
xyloketal B (CHEBI:195282) has role antiatherosclerotic agent (CHEBI:145947)
xyloketal B (CHEBI:195282) has role antihypertensive agent (CHEBI:35674)
xyloketal B (CHEBI:195282) has role neuroprotective agent (CHEBI:63726)
xyloketal B (CHEBI:195282) has role radical scavenger (CHEBI:48578)
xyloketal B (CHEBI:195282) is a organic heteropentacyclic compound (CHEBI:38164)
xyloketal B (CHEBI:195282) is a organic hydroxy compound (CHEBI:33822)
xyloketal B (CHEBI:195282) is a xyloketal (CHEBI:195287)
IUPAC Name 
(3R,3aR,7aR,10R,10aR,12aR)-3,7a,10,12a-tetramethyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-furo[2,3-b]furo[3',2':5,6]pyrano[2,3-f]chromen-5-ol
Synonyms  Source
(3R,3aR,7aR,10R,10aR,12aR)-3,7a,10,12a-tetramethyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-difuro[3,2-e:3,2-e']benzo[1,2-b:5,6-b']dipyran-5-olIUPAC
(+)-xyloketal BChEBI
Citations