[4,8-Diacetyloxy-7,12,13-trihydroxy-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 | d4808203-9cf6-4882-8166-f4ed57e47c42 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [4,8-diacetyloxy-7,12,13-trihydroxy-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(CC1OC(=O)C)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(CC1OC(=O)C)C(C)(C)O)OC4)O)O)OC(=O)C)C)OC(=O)C)O |
| InChI | InChI=1S/C26H38O11/c1-11-15(35-12(2)27)9-25(23(5,6)32)18(11)19(31)21(37-14(4)29)24(7)17(36-13(3)28)8-16(30)26(33)10-34-22(25)20(24)26/h15-17,19-22,30-33H,8-10H2,1-7H3 |
| InChI Key | QUOOCJSOEHOSCS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H38O11 |
| Molecular Weight | 526.60 g/mol |
| Exact Mass | 526.24141202 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of [4,8-Diacetyloxy-7,12,13-trihydroxy-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/2023/11/31e23e50-853a-11ee-8b9a-ffb9a23894f6.jpg "2D Structure of [4,8-Diacetyloxy-7,12,13-trihydroxy-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 | 97.20% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.09% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.19% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.26% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.96% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.13% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.74% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.74% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.68% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.52% | 94.45% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.07% | 90.93% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.07% | 91.07% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.13% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.77% | 92.94% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.25% | 97.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.10% | 94.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.66% | 96.90% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.45% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.07% | 91.19% |
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 | 85363951 |
| LOTUS | LTS0085642 |
| wikiData | Q105228311 |