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CHEBI:65748 - desacetylpyramidaglain D

ChEBI IDCHEBI:65748
ChEBI Namedesacetylpyramidaglain D
Stars
DefinitionA flavagline with a cyclopenta[bc]benzopyran skeleton isolated from the leaves of Aglaia forbesii. It exhibits antitubercular and antiviral activity.
Last Modified2 January 2013
DownloadsMolfile
FormulaC38H40N2O8
Net Charge0
Average Mass652.744
Monoisotopic Mass652.27847
SMILES[H][C@]1(C(=O)NCCCCNC(=O)c2ccccc2)[C@]([H])(c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3[C@@]1(O)[C@H]2O
InChIInChI=1S/C38H40N2O8/c1-45-27-18-16-26(17-19-27)38-31(24-12-6-4-7-13-24)33(35(42)40-21-11-10-20-39-34(41)25-14-8-5-9-15-25)37(44,36(38)43)32-29(47-3)22-28(46-2)23-30(32)48-38/h4-9,12-19,22-23,31,33,36,43-44H,10-11,20-21H2,1-3H3,(H,39,41)(H,40,42)/t31-,33+,36+,37-,38-/m0/s1
InChIKeyXFSOIGVOVJTBKR-ISCMDCNBSA-N
Species of MetaboliteComponentSourceComments
Aglaia forbesii (ncbitaxon:306504) leaf (BTO:0000713) PubMed (17707871)
Roles Classification
Biological Roles:
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
antiviral agent  A substance that destroys or inhibits replication of viruses.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
ChEBI Ontology
Outgoing Relation(s)
desacetylpyramidaglain D (CHEBI:65748) has role antitubercular agent (CHEBI:33231)
desacetylpyramidaglain D (CHEBI:65748) has role antiviral agent (CHEBI:22587)
desacetylpyramidaglain D (CHEBI:65748) has role metabolite (CHEBI:25212)
desacetylpyramidaglain D (CHEBI:65748) is a benzamides (CHEBI:22702)
desacetylpyramidaglain D (CHEBI:65748) is a bridged compound (CHEBI:35990)
desacetylpyramidaglain D (CHEBI:65748) is a flavagline (CHEBI:71504)
desacetylpyramidaglain D (CHEBI:65748) is a methoxybenzenes (CHEBI:51683)
desacetylpyramidaglain D (CHEBI:65748) is a secondary alcohol (CHEBI:35681)
desacetylpyramidaglain D (CHEBI:65748) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2R,3R,4S,5R,10R)-N-[4-(benzoylamino)butyl]-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-3-phenyl-2,3,4,5-tetrahydro-2,5-methano-1-benzoxepine-4-carboxamide
Registry NumbersSources
Reaxys:15836653Reaxys
Citations