(2',10'-Diacetyloxy-5'-hydroxy-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-9'-yl) pyridine-3-carboxylate
| Internal ID | b3e13b94-6c3a-4cc6-9847-01bc446880df |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
| IUPAC Name | (2',10'-diacetyloxy-5'-hydroxy-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-9'-yl) pyridine-3-carboxylate |
| SMILES (Canonical) | CC1=C2C(C(C3(CCC(C4(C3C(C(C2(C)C)CC1=O)OC(=O)C)CO4)O)C)OC(=O)C5=CN=CC=C5)OC(=O)C |
| SMILES (Isomeric) | CC1=C2C(C(C3(CCC(C4(C3C(C(C2(C)C)CC1=O)OC(=O)C)CO4)O)C)OC(=O)C5=CN=CC=C5)OC(=O)C |
| InChI | InChI=1S/C30H37NO9/c1-15-20(34)12-19-23(38-16(2)32)25-29(6,10-9-21(35)30(25)14-37-30)26(40-27(36)18-8-7-11-31-13-18)24(39-17(3)33)22(15)28(19,4)5/h7-8,11,13,19,21,23-26,35H,9-10,12,14H2,1-6H3 |
| InChI Key | KKFCJNGKHYRAPZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H37NO9 |
| Molecular Weight | 555.60 g/mol |
| Exact Mass | 555.24683176 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (2',10'-Diacetyloxy-5'-hydroxy-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-9'-yl) pyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/3e6f5460-84ae-11ee-80a6-3939f7c5a0e5.jpg "2D Structure of (2',10'-Diacetyloxy-5'-hydroxy-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-9'-yl) pyridine-3-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 97.57% | 81.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.82% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.08% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.64% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.27% | 97.79% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 89.96% | 92.97% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.98% | 89.34% |
| CHEMBL5028 | O14672 | ADAM10 | 88.93% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.53% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.24% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.21% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.35% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.26% | 91.11% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.82% | 97.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.24% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.99% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.61% | 89.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.22% | 97.36% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.06% | 83.82% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.75% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.36% | 91.07% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 82.20% | 96.47% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.66% | 85.30% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.31% | 96.39% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.49% | 97.09% |
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.
| Prumnopitys andina |
| PubChem | 14446215 |
| LOTUS | LTS0005693 |
| wikiData | Q105142177 |