7-epi-10-Oxo-10-deacetyl Baccatin III
| Internal ID | ad394aaa-2846-4b18-9a23-3e1b4d9ccca0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
| IUPAC Name | [(1S,2S,3R,4S,7R,9R,10S,15S)-4-acetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
| SMILES (Canonical) | CC1=C2C(=O)C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C |
| SMILES (Isomeric) | CC1=C2C(=O)C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C |
| InChI | InChI=1S/C29H34O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,22,24,31-32,36H,11-13H2,1-5H3/t17-,18+,19+,22-,24-,27+,28-,29+/m0/s1 |
| InChI Key | UEDMLPVUDFCAQM-IWVNULRZSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C29H34O10 |
| Molecular Weight | 542.60 g/mol |
| Exact Mass | 542.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 0.60 |
| 151636-94-1 |
| 10-Dehydrobaccatin V |
| [(1S,2S,3R,4S,7R,9R,10S,15S)-4-acetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
| 10-Deacetyl-10-oxobaccatin V |
| 7-epi-10-oxo-10-DAB |
| CHEMBL250045 |
| SCHEMBL13426870 |
| DTXSID10415702 |
| HY-W778547 |
| 7-epi-10-Oxo-10-deacetylbaccatin III |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.57% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.97% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.10% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.70% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.11% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.86% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.99% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.78% | 97.09% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 88.71% | 87.67% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.32% | 94.62% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.69% | 81.11% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 87.65% | 89.44% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 87.14% | 83.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.88% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.61% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 86.52% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.07% | 89.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.86% | 94.08% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.84% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.21% | 97.14% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.84% | 90.24% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.47% | 82.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.94% | 96.95% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Taxus canadensis |
| PubChem | 5316369 |
| LOTUS | LTS0128709 |
| wikiData | Q82224674 |