[8-Acetyloxy-4,7,12,13-tetrahydroxy-2-(2-hydroxypropan-2-yl)-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-10-yl] acetate
| Internal ID | 8d4a35ad-e58c-4b54-92f3-27c6ff980f59 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [8-acetyloxy-4,7,12,13-tetrahydroxy-2-(2-hydroxypropan-2-yl)-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-10-yl] acetate |
| SMILES (Canonical) | CC1=C2C(C(C3(C(CC(C4(C3C(C2(CC1O)C(C)(C)O)OC4)O)O)OC(=O)C)C)OC(=O)C)O |
| SMILES (Isomeric) | CC1=C2C(C(C3(C(CC(C4(C3C(C2(CC1O)C(C)(C)O)OC4)O)O)OC(=O)C)C)OC(=O)C)O |
| InChI | InChI=1S/C24H36O10/c1-10-13(27)8-23(21(4,5)30)16(10)17(29)19(34-12(3)26)22(6)15(33-11(2)25)7-14(28)24(31)9-32-20(23)18(22)24/h13-15,17-20,27-31H,7-9H2,1-6H3 |
| InChI Key | AXWSTTJPXBNLDQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H36O10 |
| Molecular Weight | 484.50 g/mol |
| Exact Mass | 484.23084734 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | -2.00 |
| There are no found synonyms. |
![2D Structure of [8-Acetyloxy-4,7,12,13-tetrahydroxy-2-(2-hydroxypropan-2-yl)-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-10-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/193cfbb0-8727-11ee-8712-57673dfd42ee.jpg "2D Structure of [8-Acetyloxy-4,7,12,13-tetrahydroxy-2-(2-hydroxypropan-2-yl)-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.47% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.32% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.06% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.47% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.00% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.46% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.31% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.24% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.68% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.97% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.64% | 91.11% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.20% | 90.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.55% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.45% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.39% | 96.95% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.50% | 91.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.32% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.24% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.18% | 96.77% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.74% | 97.47% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.56% | 97.79% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.50% | 95.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.77% | 97.21% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.26% | 98.75% |
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 mairei |
| PubChem | 73078584 |
| LOTUS | LTS0157410 |
| wikiData | Q104920864 |