CHEBI:66195 - tasumatrol F

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ChEBI Name tasumatrol F
ChEBI ID CHEBI:66195
Definition A taxane diterpenoid isolated from Taxus sumatrana and has been shown to exhibit antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C33H44O12
Net Charge 0
Average Mass 632.69530
Monoisotopic Mass 632.28328
InChI InChI=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
InChIKey WYKZKHDIJKKRNQ-VEHPFIPQSA-N
SMILES [H][C@@]12[C@H](COC(C)=O)[C@H](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@H]2O)C(C)(C)O)OC(C)=O
Metabolite of Species Details
Taxus sumatrana (NCBI:txid450883) Found in twig (BTO:0001411). See: PubMed
Taxus sumatrana (NCBI:txid450883) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
10228313 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15679325 PubMed citation Europe PMC
Last Modified
10 July 2013