EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:66515 - sorocenol H

ChEBI IDCHEBI:66515
ChEBI Namesorocenol H
Stars
DefinitionA member of the class of 1-benzofurans isolated from Sorocea muriculata that has been shown to exhibit antibacterial activity against methicillin-resistant Staphylococcus aureus.
Last Modified7 November 2013
DownloadsMolfile
FormulaC39H36O9
Net Charge0
Average Mass648.708
Monoisotopic Mass648.23593
SMILESCC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O
InChIInChI=1S/C39H36O9/c1-19(2)4-8-26-30(42)11-10-27(38(26)46)39(47)36-28(25-9-7-23(40)17-31(25)43)12-20(3)13-29(36)37-32(44)14-22(15-33(37)45)34-16-21-5-6-24(41)18-35(21)48-34/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36+/m0/s1
InChIKeySEHVRKPXIDOTRX-CMUUVTEDSA-N
Species of MetaboliteComponentSourceComments
Sorocea muriculata (ncbitaxon:241923) root (BTO:0001188) PubMed (18847244)
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
sorocenol H (CHEBI:66515) has role antibacterial agent (CHEBI:33282)
sorocenol H (CHEBI:66515) has role antifungal agent (CHEBI:35718)
sorocenol H (CHEBI:66515) has role metabolite (CHEBI:25212)
sorocenol H (CHEBI:66515) is a 1-benzofurans (CHEBI:38830)
sorocenol H (CHEBI:66515) is a aromatic ketone (CHEBI:76224)
sorocenol H (CHEBI:66515) is a resorcinols (CHEBI:33572)
IUPAC Name 
[(1R,2R,6R)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl][2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methanone
Registry NumbersSources
Reaxys:19203598Reaxys
Citations