Dimethyl 8-methyl-15-propan-2-yl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene-3,12-dicarboxylate
| Internal ID | 0fa61017-0a39-47b2-9da8-ceac6e03fd89 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids |
| IUPAC Name | dimethyl 8-methyl-15-propan-2-yl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene-3,12-dicarboxylate |
| SMILES (Canonical) | CC(C)C12CCC(=CCCC3(C(O3)CCC(=CC1O2)C(=O)OC)C)C(=O)OC |
| SMILES (Isomeric) | CC(C)C12CCC(=CCCC3(C(O3)CCC(=CC1O2)C(=O)OC)C)C(=O)OC |
| InChI | InChI=1S/C22H32O6/c1-14(2)22-12-10-15(19(23)25-4)7-6-11-21(3)17(27-21)9-8-16(20(24)26-5)13-18(22)28-22/h7,13-14,17-18H,6,8-12H2,1-5H3 |
| InChI Key | CMMSHXJIVVKGEQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O6 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 77.70 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of Dimethyl 8-methyl-15-propan-2-yl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene-3,12-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/c704f060-85f6-11ee-a3b7-b9777441f5fa.jpg "2D Structure of Dimethyl 8-methyl-15-propan-2-yl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene-3,12-dicarboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.34% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.35% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.60% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.87% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.76% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.73% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.61% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.05% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.47% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 83.89% | 97.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.65% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.07% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.42% | 92.62% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 81.69% | 91.65% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.83% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.40% | 100.00% |
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.
| Asplenium wilfordii |
| PubChem | 73240824 |
| LOTUS | LTS0065606 |
| wikiData | Q105244592 |