(9,10,13-Triacetyloxy-1,5-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-7-tricyclo[9.3.1.03,8]pentadec-11-enyl) benzoate
| Internal ID | a040d4b9-3632-4ed9-b0c2-4d2b50a8a4cb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
| IUPAC Name | (9,10,13-triacetyloxy-1,5-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-7-tricyclo[9.3.1.03,8]pentadec-11-enyl) benzoate |
| SMILES (Canonical) | CC1=C2C(C(C3(C(CC(C(=C)C3CC(C2(C)C)(CC1OC(=O)C)O)O)OC(=O)C4=CC=CC=C4)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC1=C2C(C(C3(C(CC(C(=C)C3CC(C2(C)C)(CC1OC(=O)C)O)O)OC(=O)C4=CC=CC=C4)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C33H42O10/c1-17-23-15-33(39)16-25(40-19(3)34)18(2)27(31(33,6)7)28(41-20(4)35)29(42-21(5)36)32(23,8)26(14-24(17)37)43-30(38)22-12-10-9-11-13-22/h9-13,23-26,28-29,37,39H,1,14-16H2,2-8H3 |
| InChI Key | FEKNEDAFAFLREE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H42O10 |
| Molecular Weight | 598.70 g/mol |
| Exact Mass | 598.27779753 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (9,10,13-Triacetyloxy-1,5-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-7-tricyclo[9.3.1.03,8]pentadec-11-enyl) benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/b5ab03b0-8569-11ee-8281-07dc4f55de51.jpg "2D Structure of (9,10,13-Triacetyloxy-1,5-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-7-tricyclo[9.3.1.03,8]pentadec-11-enyl) benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.97% | 91.49% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.28% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.27% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.99% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.77% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 94.41% | 95.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.95% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.65% | 91.11% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 88.04% | 81.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.18% | 82.69% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.03% | 94.08% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.10% | 83.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.91% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.23% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.97% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.55% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.53% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.38% | 96.95% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.67% | 96.67% |
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 |
| Taxus mairei |
| PubChem | 78385478 |
| LOTUS | LTS0215861 |
| wikiData | Q104403492 |