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CHEBI:66514 - sorocenol G

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:
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 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