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CHEBI:132152 - triptofordin C 2

ChEBI IDCHEBI:132152
ChEBI Nametriptofordin C 2
Stars
DefinitionA dihydroagarofuran sesquiterpenoid that is isolated from Tripterygium wilfordii.
Last Modified1 August 2016
Submitterliuqingping
DownloadsMolfile
FormulaC33H38O11
Net Charge0
Average Mass610.656
Monoisotopic Mass610.24141
SMILES[H][C@]12[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)[C@@H](O)C[C@@](C)(O)[C@@]3(OC1(C)C)[C@@H]2OC(C)=O
InChIInChI=1S/C33H38O11/c1-18(34)40-25-22(36)17-31(5,39)33-26(41-19(2)35)23(30(3,4)44-33)24(42-28(37)20-13-9-7-10-14-20)27(32(25,33)6)43-29(38)21-15-11-8-12-16-21/h7-16,22-27,36,39H,17H2,1-6H3/t22-,23+,24-,25-,26+,27-,31+,32-,33-/m0/s1
InChIKeyFOIOSVGAFMLLDU-UDIRGPGZSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Tripterygium wilfordii (ncbitaxon:458696) - PubMed (8722541)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antiviral agent  A substance that destroys or inhibits replication of viruses.
ChEBI Ontology
Outgoing Relation(s)
triptofordin C 2 (CHEBI:132152) has role antiviral agent (CHEBI:22587)
triptofordin C 2 (CHEBI:132152) has role plant metabolite (CHEBI:76924)
triptofordin C 2 (CHEBI:132152) is a acetate ester (CHEBI:47622)
triptofordin C 2 (CHEBI:132152) is a benzoate ester (CHEBI:36054)
triptofordin C 2 (CHEBI:132152) is a bridged compound (CHEBI:35990)
triptofordin C 2 (CHEBI:132152) is a dihydroagarofuran sesquiterpenoid (CHEBI:71548)
triptofordin C 2 (CHEBI:132152) is a organic heterotricyclic compound (CHEBI:26979)
triptofordin C 2 (CHEBI:132152) is a oxacycle (CHEBI:38104)
triptofordin C 2 (CHEBI:132152) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3R,4S,5R,5aS,6R,7S,9R,9aS,10R)-6,10-bis(acetyloxy)-7,9-dihydroxy-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepine-4,5-diyl dibenzoate
Synonyms  Source
(-)-Triptofordin C 2KNApSAcK
C-2 TriptofordinChemIDplus
triptofordin C-2ChEBI
Manual XrefsDatabases
C00013134KNApSAcK
Triptofordin_C-2Wikipedia
Registry NumbersSources
Reaxys:6553794Reaxys
CAS:111514-63-7KNApSAcK
CAS:111514-63-7ChemIDplus
Citations