[5-acetyloxy-10a-(2-acetyloxypropan-2-yl)-2,4,6,8-tetrahydroxy-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulen-10-yl] acetate
| Internal ID | 8cf00e90-3470-41c1-8bf8-f2e68d426846 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
| IUPAC Name | [5-acetyloxy-10a-(2-acetyloxypropan-2-yl)-2,4,6,8-tetrahydroxy-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulen-10-yl] acetate |
| SMILES (Canonical) | CC1=C2C(C(C3(C(CC(C(=C)C3C(C2(CC1O)C(C)(C)OC(=O)C)OC(=O)C)O)O)C)OC(=O)C)O |
| SMILES (Isomeric) | CC1=C2C(C(C3(C(CC(C(=C)C3C(C2(CC1O)C(C)(C)OC(=O)C)OC(=O)C)O)O)C)OC(=O)C)O |
| InChI | InChI=1S/C26H38O10/c1-11-16(30)9-18(32)25(8)20(11)22(34-13(3)27)26(24(6,7)36-15(5)29)10-17(31)12(2)19(26)21(33)23(25)35-14(4)28/h16-18,20-23,30-33H,1,9-10H2,2-8H3 |
| InChI Key | SPZNJROAHQUYLY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H38O10 |
| Molecular Weight | 510.60 g/mol |
| Exact Mass | 510.24649740 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | -0.90 |
| There are no found synonyms. |
![2D Structure of [5-acetyloxy-10a-(2-acetyloxypropan-2-yl)-2,4,6,8-tetrahydroxy-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulen-10-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/f78bad00-8757-11ee-91ea-5777521b4941.jpg "2D Structure of [5-acetyloxy-10a-(2-acetyloxypropan-2-yl)-2,4,6,8-tetrahydroxy-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulen-10-yl] 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.68% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.93% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.91% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.03% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.03% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.06% | 95.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.84% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.16% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.15% | 97.79% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.09% | 91.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.77% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.64% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.55% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.20% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.66% | 93.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.22% | 92.94% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.87% | 97.14% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.65% | 90.93% |
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 wallichiana |
| PubChem | 85298018 |
| LOTUS | LTS0236478 |
| wikiData | Q105257706 |