(6-hydroxy-6,12a-dimethyl-10-methylidene-1-propan-2-yl-2,3,3a,7,8,9,11,12-octahydro-1H-cyclopenta[11]annulen-9-yl) acetate
| Internal ID | 21d329ab-38e8-4d94-b438-d29df8b5a59b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (6-hydroxy-6,12a-dimethyl-10-methylidene-1-propan-2-yl-2,3,3a,7,8,9,11,12-octahydro-1H-cyclopenta[11]annulen-9-yl) acetate |
| SMILES (Canonical) | CC(C)C1CCC2C1(CCC(=C)C(CCC(C=C2)(C)O)OC(=O)C)C |
| SMILES (Isomeric) | CC(C)C1CCC2C1(CCC(=C)C(CCC(C=C2)(C)O)OC(=O)C)C |
| InChI | InChI=1S/C22H36O3/c1-15(2)19-8-7-18-10-12-21(5,24)13-11-20(25-17(4)23)16(3)9-14-22(18,19)6/h10,12,15,18-20,24H,3,7-9,11,13-14H2,1-2,4-6H3 |
| InChI Key | MSHQCXZTTKTIFR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H36O3 |
| Molecular Weight | 348.50 g/mol |
| Exact Mass | 348.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of (6-hydroxy-6,12a-dimethyl-10-methylidene-1-propan-2-yl-2,3,3a,7,8,9,11,12-octahydro-1H-cyclopenta[11]annulen-9-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/bfce11b0-8571-11ee-91e7-e9f649f13cb7.jpg "2D Structure of (6-hydroxy-6,12a-dimethyl-10-methylidene-1-propan-2-yl-2,3,3a,7,8,9,11,12-octahydro-1H-cyclopenta[11]annulen-9-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 | 96.66% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.12% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.44% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.97% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.49% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.56% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.76% | 100.00% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 84.83% | 95.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.33% | 91.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.32% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.31% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.90% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.80% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.65% | 93.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.60% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 80.25% | 97.50% |
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.
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| There are no matching plants. |
| PubChem | 163073076 |
| LOTUS | LTS0066586 |
| wikiData | Q105171177 |