(3-Acetyloxy-5-hydroxy-3,9-dimethyl-13-methylidene-12-oxo-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl) butanoate
| Internal ID | a7ab6b96-ac97-4c9e-b527-ba5f190c8803 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Eunicellane and asbestinane diterpenoids |
| IUPAC Name | (3-acetyloxy-5-hydroxy-3,9-dimethyl-13-methylidene-12-oxo-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl) butanoate |
| SMILES (Canonical) | CCCC(=O)OC1(CCC(=O)C(=C)CC2C3C(C1O2)C(C(CC3(C)OC(=O)C)O)C(C)C)C |
| SMILES (Isomeric) | CCCC(=O)OC1(CCC(=O)C(=C)CC2C3C(C1O2)C(C(CC3(C)OC(=O)C)O)C(C)C)C |
| InChI | InChI=1S/C26H40O7/c1-8-9-20(30)33-25(6)11-10-17(28)15(4)12-19-23-22(24(25)31-19)21(14(2)3)18(29)13-26(23,7)32-16(5)27/h14,18-19,21-24,29H,4,8-13H2,1-3,5-7H3 |
| InChI Key | NEIALRFHJMHJQG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H40O7 |
| Molecular Weight | 464.60 g/mol |
| Exact Mass | 464.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (3-Acetyloxy-5-hydroxy-3,9-dimethyl-13-methylidene-12-oxo-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl) butanoate](https://plantaedb.com/storage/docs/compounds/2023/11/88cb4dc0-8590-11ee-be6b-a198b6849423.jpg "2D Structure of (3-Acetyloxy-5-hydroxy-3,9-dimethyl-13-methylidene-12-oxo-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl) butanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.22% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.07% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.38% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.74% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.45% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.79% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.95% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.37% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.06% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.06% | 82.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.62% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.50% | 86.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.99% | 98.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.00% | 95.89% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.98% | 98.59% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.14% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.65% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.15% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.07% | 89.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.32% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.96% | 90.71% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.36% | 93.04% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.27% | 96.77% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.16% | 94.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.66% | 97.79% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.51% | 95.50% |
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.
| There are no matching plants. |
| PubChem | 74963521 |
| LOTUS | LTS0194951 |
| wikiData | Q105177938 |