Methyl tetrahydroisosarcoate
| Internal ID | baf3790f-5583-4a9a-8c4b-ce37ce673148 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids |
| IUPAC Name | methyl (1Z,4S,7R,11S)-7,11-dimethyl-3,6,13-trioxo-4-propan-2-ylcyclotetradecene-1-carboxylate |
| SMILES (Canonical) | CC1CCCC(C(=O)CC(C(=O)C=C(CC(=O)C1)C(=O)OC)C(C)C)C |
| SMILES (Isomeric) | C[C@H]1CCC[C@H](C(=O)C[C@H](C(=O)/C=C(/CC(=O)C1)\C(=O)OC)C(C)C)C |
| InChI | InChI=1S/C21H32O5/c1-13(2)18-12-19(23)15(4)8-6-7-14(3)9-17(22)10-16(11-20(18)24)21(25)26-5/h11,13-15,18H,6-10,12H2,1-5H3/b16-11-/t14-,15+,18-/m0/s1 |
| InChI Key | OWHOHGUNUYXGTA-SYKARXCVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H32O5 |
| Molecular Weight | 364.50 g/mol |
| Exact Mass | 364.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 3.30 |
| Methyl (1Z,4S,7R,11S)-7,11-dimethyl-3,6,13-trioxo-4-propan-2-ylcyclotetradecene-1-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.61% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.12% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.32% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.84% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.04% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.16% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.39% | 85.14% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.39% | 94.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.57% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.16% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.07% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.50% | 97.09% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.24% | 94.00% |
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.
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| There are no matching plants. |
| PubChem | 24762744 |
| LOTUS | LTS0077234 |
| wikiData | Q105202020 |