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CHEBI:66195 - tasumatrol F

ChEBI IDCHEBI:66195
ChEBI Nametasumatrol F
Stars
DefinitionA taxane diterpenoid isolated from Taxus sumatrana and has been shown to exhibit antineoplastic activity.
Last Modified10 July 2013
DownloadsMolfile
FormulaC33H44O12
Net Charge0
Average Mass632.703
Monoisotopic Mass632.28328
SMILES[H][C@@]12[C@H](COC(C)=O)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](O)C1=C(C)[C@@H](O)C[C@@]1(C(C)(C)O)[C@H]2O
InChIInChI=1S/C33H44O12/c1-16-22(37)14-33(31(5,6)41)25(16)27(38)29(45-30(40)20-11-9-8-10-12-20)32(7)24(44-19(4)36)13-23(43-18(3)35)21(15-42-17(2)34)26(32)28(33)39/h8-12,21-24,26-29,37-39,41H,13-15H2,1-7H3/t21-,22+,23+,24+,26+,27-,28+,29+,32-,33+/m1/s1
InChIKeyWYKZKHDIJKKRNQ-VEHPFIPQSA-N
Species of MetaboliteComponentSourceComments
Taxus sumatrana (ncbitaxon:450883)
leaf (BTO:0000713) PubMed (15679325)
twig (BTO:0001411) PubMed (15679325)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
tasumatrol F (CHEBI:66195) has role antineoplastic agent (CHEBI:35610)
tasumatrol F (CHEBI:66195) has role metabolite (CHEBI:25212)
tasumatrol F (CHEBI:66195) is a acetate ester (CHEBI:47622)
tasumatrol F (CHEBI:66195) is a benzoate ester (CHEBI:36054)
tasumatrol F (CHEBI:66195) is a secondary alcohol (CHEBI:35681)
tasumatrol F (CHEBI:66195) is a taxane diterpenoid (CHEBI:50367)
tasumatrol F (CHEBI:66195) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2S,3aS,4S,4aR,5R,6S,8S,8aS,9R,10R)-6,8-bis(acetyloxy)-5-[(acetyloxy)methyl]-2,4,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,10-dodecahydrobenzo[f]azulen-9-yl benzoate
Registry NumbersSources
Reaxys:10228313Reaxys
Citations