CHEBI:66514 - sorocenol G

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sorocenol G
ChEBI ID CHEBI:66514
Definition An organic heteropentacyclic compound isolated from Sorocea muriculata and has been shown to exhibit antibacterial activity against methicillin-resistant Staphylococcus aureus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C39H32O8
Net Charge 0
Average Mass 628.66660
Monoisotopic Mass 628.20972
InChI InChI=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
InChIKey GOBAQYCCUYZMJY-HGLYATPPSA-N
SMILES [H][C@]12CC(C)=C[C@]3([H])c4c(O)cc(cc4O[C@@](Oc4cc(O)ccc14)(c1ccc(O)c4C=CC(C)(C)Oc14)[C@@]23[H])-c1cc2ccc(O)cc2o1
Metabolite of Species Details
Sorocea muriculata (NCBI:txid241923) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
19203597 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18847244 PubMed citation Europe PMC
Last Modified
08 July 2013