CHEBI:66515 - sorocenol H

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ChEBI Name sorocenol H
ChEBI ID CHEBI:66515
Definition A member of the class of 1-benzofurans isolated from Sorocea muriculata that 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
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Formula C39H36O9
Net Charge 0
Average Mass 648.69770
Monoisotopic Mass 648.23593
InChI InChI=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
InChIKey SEHVRKPXIDOTRX-CMUUVTEDSA-N
SMILES CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](CC(C)=C[C@H]2c2c(O)cc(cc2O)-c2cc3ccc(O)cc3o2)c2ccc(O)cc2O)c1O
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.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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 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 Number Type Source
19203598 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18847244 PubMed citation Europe PMC
Last Modified
07 November 2013