CHEBI:65748 - desacetylpyramidaglain D

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ChEBI Name desacetylpyramidaglain D
ChEBI ID CHEBI:65748
Definition A flavagline with a cyclopenta[bc]benzopyran skeleton isolated from the leaves of Aglaia forbesii. It exhibits antitubercular and antiviral activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H40N2O8
Net Charge 0
Average Mass 652.73280
Monoisotopic Mass 652.27847
InChI InChI=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
InChIKey XFSOIGVOVJTBKR-ISCMDCNBSA-N
SMILES [H][C@]1(C(=O)NCCCCNC(=O)c2ccccc2)[C@]([H])(c2ccccc2)[C@@]2(Oc3cc(OC)cc(OC)c3[C@@]1(O)[C@H]2O)c1ccc(OC)cc1
Metabolite of Species Details
Aglaia forbesii (NCBI:txid306504) Found in leaf (BTO:0000713). 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.
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.
(via flavagline )
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 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 Number Type Source
15836653 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17707871 PubMed citation Europe PMC
Last Modified
02 January 2013