methyl (1R,2S,6R,7R,9R,12S)-2,6-dimethyl-10-oxo-12-propan-2-yl-15-oxatetracyclo[10.2.1.01,9.02,7]pentadecane-6-carboxylate
| Internal ID | 4acd0887-bc77-43b1-be33-59e5992f8741 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl (1R,2S,6R,7R,9R,12S)-2,6-dimethyl-10-oxo-12-propan-2-yl-15-oxatetracyclo[10.2.1.01,9.02,7]pentadecane-6-carboxylate |
| SMILES (Canonical) | CC(C)C12CCC3(O1)C(CC4C3(CCCC4(C)C(=O)OC)C)C(=O)C2 |
| SMILES (Isomeric) | CC(C)[C@@]12CC[C@@]3(O1)[C@@H](C[C@@H]4[C@@]3(CCC[C@@]4(C)C(=O)OC)C)C(=O)C2 |
| InChI | InChI=1S/C21H32O4/c1-13(2)20-9-10-21(25-20)14(15(22)12-20)11-16-18(3,17(23)24-5)7-6-8-19(16,21)4/h13-14,16H,6-12H2,1-5H3/t14-,16-,18+,19-,20-,21+/m0/s1 |
| InChI Key | OEGVTAZVZYUFGW-CRMPFDGHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32O4 |
| Molecular Weight | 348.50 g/mol |
| Exact Mass | 348.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of methyl (1R,2S,6R,7R,9R,12S)-2,6-dimethyl-10-oxo-12-propan-2-yl-15-oxatetracyclo[10.2.1.01,9.02,7]pentadecane-6-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/a6653460-8406-11ee-adeb-35bf0e4dc7d8.jpg "2D Structure of methyl (1R,2S,6R,7R,9R,12S)-2,6-dimethyl-10-oxo-12-propan-2-yl-15-oxatetracyclo[10.2.1.01,9.02,7]pentadecane-6-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.49% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.40% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.91% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.77% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.69% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.99% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.82% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.04% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.68% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.46% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.19% | 99.23% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.98% | 95.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.73% | 91.07% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.34% | 98.03% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.85% | 95.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.84% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.66% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.97% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.65% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.34% | 92.62% |
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.
| Larix kaempferi |
| PubChem | 101005575 |
| LOTUS | LTS0137099 |
| wikiData | Q105190270 |