CHEBI:195282 - xyloketal B

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ChEBI Name xyloketal B
ChEBI ID CHEBI:195282
Definition A xyloketal with formula C20H26O5. It was initially isolated from the mangrove fungus Xylaria sp. from the South China sea coast.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Ceri
Supplier Information
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Formula C20H26O5
Net Charge 0
Average Mass 346.423
Monoisotopic Mass 346.17802
InChI InChI=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
InChIKey CCNANHBVUNZCKA-FCOFOHSNSA-N
SMILES [H][C@]12CC3=C(O[C@@]1(C)OC[C@@H]2C)C1=C(O[C@@]2(C)OC[C@H](C)[C@@]2([H])C1)C=C3O
Metabolite of Species Details
Xylaria sp. 2508 (NCBI:txid598750) See: PubMed
Roles Classification
Chemical Role(s): radical scavenger
A role played by a substance that can react readily with, and thereby eliminate, radicals.
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.
(via xyloketal )
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
(via xyloketal )
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(+)-xyloketal B ChEBI
(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-ol IUPAC
Citations Waiting for Citations Types Sources
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Last Modified
08 June 2023