Taxumairol O
| Internal ID | 4ff49e2e-0630-4c81-bc9f-27d188fc8900 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
| IUPAC Name | [(1S,2S,3R,4S,5S,7S,8S,9R,10R,13S)-9,10,13-triacetyloxy-1,2,4,5-tetrahydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate |
| SMILES (Canonical) | CC1=C2C(C(C3(C(CC(C(C3C(C(C2(C)C)(CC1OC(=O)C)O)O)(CO)O)O)OC(=O)C)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]([C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)O)(CO)O)O)OC(=O)C)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C28H42O13/c1-12-17(38-13(2)30)10-28(37)23(35)22-26(8,19(39-14(3)31)9-18(34)27(22,36)11-29)24(41-16(5)33)21(40-15(4)32)20(12)25(28,6)7/h17-19,21-24,29,34-37H,9-11H2,1-8H3/t17-,18-,19-,21+,22-,23-,24-,26+,27-,28+/m0/s1 |
| InChI Key | UKTPGJFEWDPYOU-CDGZCQTISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H42O13 |
| Molecular Weight | 586.60 g/mol |
| Exact Mass | 586.26254139 g/mol |
| Topological Polar Surface Area (TPSA) | 206.00 Ų |
| XlogP | -1.00 |
| SCHEMBL44470 |
| [(1S,2S,3R,4S,5S,7S,8S,9R,10R,13S)-9,10,13-Triacetyloxy-1,2,4,5-tetrahydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.59% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.75% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.71% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.45% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.00% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.97% | 96.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.09% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.93% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.08% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.37% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.13% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.27% | 94.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.14% | 86.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.35% | 96.90% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.83% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.86% | 100.00% |
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 mairei |
| PubChem | 10674857 |
| LOTUS | LTS0093570 |
| wikiData | Q105274893 |