[2,7,9,10,13-Pentaacetyloxy-5-hydroxy-15-(hydroxymethyl)-8,12,15-trimethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate
| Internal ID | fd519362-3dd5-423f-874a-e934b710805d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
| IUPAC Name | [2,7,9,10,13-pentaacetyloxy-5-hydroxy-15-(hydroxymethyl)-8,12,15-trimethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate |
| SMILES (Canonical) | CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)CO)CC1OC(=O)C)OC(=O)C)COC(=O)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)CO)CC1OC(=O)C)OC(=O)C)COC(=O)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C32H44O14/c1-15-26(42-18(4)35)11-24-28(44-20(6)37)10-23(13-41-17(3)34)25(40)12-27(43-19(5)36)16(2)30(45-21(7)38)31(46-22(8)39)29(15)32(24,9)14-33/h10,24-28,31,33,40H,11-14H2,1-9H3 |
| InChI Key | JNAKVYPKCFIWHI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H44O14 |
| Molecular Weight | 652.70 g/mol |
| Exact Mass | 652.27310607 g/mol |
| Topological Polar Surface Area (TPSA) | 198.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of [2,7,9,10,13-Pentaacetyloxy-5-hydroxy-15-(hydroxymethyl)-8,12,15-trimethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e9596f20-844d-11ee-b924-c3f4577de3e8.jpg "2D Structure of [2,7,9,10,13-Pentaacetyloxy-5-hydroxy-15-(hydroxymethyl)-8,12,15-trimethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl 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 | 98.60% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.99% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.36% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.49% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.25% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.88% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.63% | 97.79% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.10% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.67% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.44% | 95.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.89% | 94.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.48% | 94.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.10% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.85% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.99% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.57% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.04% | 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 | 163034213 |
| LOTUS | LTS0035112 |
| wikiData | Q105131784 |