[9,10-Diacetyloxy-5,11-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-oxo-2-tricyclo[9.3.1.03,8]pentadec-3-enyl] acetate
| Internal ID | 5efe1e48-6809-43c4-83a4-7ebb7b6b7f96 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
| IUPAC Name | [9,10-diacetyloxy-5,11-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-oxo-2-tricyclo[9.3.1.03,8]pentadec-3-enyl] acetate |
| SMILES (Canonical) | CC1C(=O)CC2C(C3=C(C(CCC3(C(C(C1(C2(C)C)O)OC(=O)C)OC(=O)C)C)O)CO)OC(=O)C |
| SMILES (Isomeric) | CC1C(=O)CC2C(C3=C(C(CCC3(C(C(C1(C2(C)C)O)OC(=O)C)OC(=O)C)C)O)CO)OC(=O)C |
| InChI | InChI=1S/C26H38O10/c1-12-19(32)10-17-21(34-13(2)28)20-16(11-27)18(31)8-9-25(20,7)22(35-14(3)29)23(36-15(4)30)26(12,33)24(17,5)6/h12,17-18,21-23,27,31,33H,8-11H2,1-7H3 |
| InChI Key | ZMMCRUZQJGEEQT-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) | 157.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of [9,10-Diacetyloxy-5,11-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-oxo-2-tricyclo[9.3.1.03,8]pentadec-3-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/afdd77e0-864a-11ee-a605-c38f924f9f08.jpg "2D Structure of [9,10-Diacetyloxy-5,11-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-oxo-2-tricyclo[9.3.1.03,8]pentadec-3-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.25% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.77% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.49% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.87% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.55% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.29% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.20% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.12% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.00% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.97% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.72% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.77% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.47% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.21% | 95.89% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.03% | 97.93% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.94% | 91.07% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.55% | 82.69% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.45% | 94.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.29% | 91.24% |
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 cuspidata |
| PubChem | 78385533 |
| LOTUS | LTS0156694 |
| wikiData | Q105379514 |