methyl (4R,4aS,8aS)-4-methyl-2-(2-methylpropyl)-4a,5,6,8a-tetrahydro-4H-chromene-7-carboxylate
| Internal ID | b6c30f27-d2e8-49d3-b5ef-b94895af7c99 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Alpha,beta-unsaturated carboxylic esters > Enoate esters |
| IUPAC Name | methyl (4R,4aS,8aS)-4-methyl-2-(2-methylpropyl)-4a,5,6,8a-tetrahydro-4H-chromene-7-carboxylate |
| SMILES (Canonical) | CC1C=C(OC2C1CCC(=C2)C(=O)OC)CC(C)C |
| SMILES (Isomeric) | C[C@H]1C=C(O[C@H]2[C@H]1CCC(=C2)C(=O)OC)CC(C)C |
| InChI | InChI=1S/C16H24O3/c1-10(2)7-13-8-11(3)14-6-5-12(16(17)18-4)9-15(14)19-13/h8-11,14-15H,5-7H2,1-4H3/t11-,14-,15+/m0/s1 |
| InChI Key | ZJGMUVOCFLKRTL-TUKIKUTGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H24O3 |
| Molecular Weight | 264.36 g/mol |
| Exact Mass | 264.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.97% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.33% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.94% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.97% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.28% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.87% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.14% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.92% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.06% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.60% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.17% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.06% | 95.56% |
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.
| Abies sachalinensis |
| PubChem | 101635417 |
| LOTUS | LTS0235539 |
| wikiData | Q105377880 |