(2',9',10'-Triacetyloxy-5'-hydroxy-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl)methyl acetate
| Internal ID | a0302f36-aef7-4d22-b224-e8eab847e413 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
| IUPAC Name | (2',9',10'-triacetyloxy-5'-hydroxy-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl)methyl acetate |
| SMILES (Canonical) | CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)CC1=O)OC(=O)C)CO4)O)COC(=O)C)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)CC1=O)OC(=O)C)CO4)O)COC(=O)C)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C29H40O11/c1-13-20(34)10-19-23(38-15(3)31)25-28(8,18(11-36-14(2)30)9-21(35)29(25)12-37-29)26(40-17(5)33)24(39-16(4)32)22(13)27(19,6)7/h18-19,21,23-26,35H,9-12H2,1-8H3 |
| InChI Key | KGWZKNIICAHXOK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H40O11 |
| Molecular Weight | 564.60 g/mol |
| Exact Mass | 564.25706209 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (2',9',10'-Triacetyloxy-5'-hydroxy-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/b781ba00-85a4-11ee-ad94-05f85a6ea11d.jpg "2D Structure of (2',9',10'-Triacetyloxy-5'-hydroxy-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl)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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.10% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.72% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.54% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.37% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.35% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.33% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.18% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.82% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.66% | 97.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.38% | 89.34% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.05% | 91.19% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.53% | 81.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.98% | 97.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.68% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.41% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.37% | 97.25% |
| CHEMBL5028 | O14672 | ADAM10 | 85.58% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.03% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.66% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.47% | 89.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.01% | 93.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.92% | 96.77% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.24% | 94.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.96% | 94.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.92% | 95.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.36% | 97.28% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.43% | 92.50% |
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 baccata |
| PubChem | 162888882 |
| LOTUS | LTS0240873 |
| wikiData | Q105141022 |