CHEBI:65364 - 15-acetoxyorbiculin G

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ChEBI Name 15-acetoxyorbiculin G
ChEBI ID CHEBI:65364
Definition A dihydroagarofuran sesquiterpenoid that is the 15-acetoxy derivative of orbiculin G. It is isolated from Microtropis japonica and exhibits antitubercular activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H42O11
Net Charge 0
Average Mass 698.75490
Monoisotopic Mass 698.27271
InChI InChI=1S/C40H42O11/c1-24-21-31(48-35(43)27-15-9-6-10-16-27)34(47-26(3)42)39(23-46-25(2)41)32(49-36(44)28-17-11-7-12-18-28)22-30-33(40(24,39)51-38(30,4)5)50-37(45)29-19-13-8-14-20-29/h6-20,24,30-34H,21-23H2,1-5H3/t24-,30-,31+,32+,33-,34+,39-,40-/m1/s1
InChIKey YOWBCRNBOMRTPW-NPIRVHPYSA-N
SMILES [H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(COC(C)=O)[C@@H](OC(C)=O)[C@H](C[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(=O)c1ccccc1)OC(=O)c1ccccc1
Metabolite of Species Details
Microtropis japonica (NCBI:txidtxid1089418) Found in stem (BTO:0001300). See: PubMed
Roles Classification
Biological Role(s): antitubercular agent
A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antitubercular agent
A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 15-acetoxyorbiculin G (CHEBI:65364) has functional parent orbiculin G (CHEBI:66828)
15-acetoxyorbiculin G (CHEBI:65364) has role antitubercular agent (CHEBI:33231)
15-acetoxyorbiculin G (CHEBI:65364) has role metabolite (CHEBI:25212)
15-acetoxyorbiculin G (CHEBI:65364) is a benzoate ester (CHEBI:36054)
15-acetoxyorbiculin G (CHEBI:65364) is a bridged compound (CHEBI:35990)
15-acetoxyorbiculin G (CHEBI:65364) is a cyclic ether (CHEBI:37407)
15-acetoxyorbiculin G (CHEBI:65364) is a dihydroagarofuran sesquiterpenoid (CHEBI:71548)
15-acetoxyorbiculin G (CHEBI:65364) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name
(3R,5S,5aR,6R,7S,9R,9aS,10R)-6-(acetyloxy)-5a-[(acetyloxy)methyl]-2,2,9-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine-5,7,10-triyl tribenzoate
Registry Number Type Source
18842487 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18471021 PubMed citation Europe PMC
Last Modified
19 April 2013