EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:66514 - sorocenol G

Default Structure
ChEBI IDCHEBI:66514
ChEBI Namesorocenol G
Stars
DefinitionAn organic heteropentacyclic compound isolated from Sorocea muriculata and has been shown to exhibit antibacterial activity against methicillin-resistant Staphylococcus aureus.
Last Modified8 July 2013
DownloadsMolfile
FormulaC39H32O8
Net Charge0
Average Mass628.677
Monoisotopic Mass628.20972
SMILES[H][C@]12[C@@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@]1([H])CC(C)=C[C@]2([H])c1c(O)cc(-c2cc4ccc(O)cc4o2)cc1O3
InChIInChI=1S/C39H32O8/c1-19-12-26-24-7-6-23(41)18-33(24)45-39(28-8-9-29(42)25-10-11-38(2,3)47-37(25)28)36(26)27(13-19)35-30(43)14-21(16-34(35)46-39)31-15-20-4-5-22(40)17-32(20)44-31/h4-11,13-18,26-27,36,40-43H,12H2,1-3H3/t26-,27+,36-,39-/m0/s1
InChIKeyGOBAQYCCUYZMJY-HGLYATPPSA-N
Species of MetaboliteComponentSourceComments
Sorocea muriculata (ncbitaxon:241923) root (BTO:0001188) PubMed (18847244)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
sorocenol G (CHEBI:66514) has role antibacterial agent (CHEBI:33282)
sorocenol G (CHEBI:66514) has role metabolite (CHEBI:25212)
sorocenol G (CHEBI:66514) is a 1-benzofurans (CHEBI:38830)
sorocenol G (CHEBI:66514) is a chromenes (CHEBI:23232)
sorocenol G (CHEBI:66514) is a organic heteropentacyclic compound (CHEBI:38164)
sorocenol G (CHEBI:66514) is a phenols (CHEBI:33853)
IUPAC Name 
(3aS,8aR,13bR,13cS)-6-(6-hydroxy-1-benzofuran-2-yl)-8a-(5-hydroxy-2,2-dimethyl-2H-chromen-8-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol
Registry NumbersSources
Reaxys:19203597Reaxys
Citations