methyl 3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoate
| Internal ID | 73b2ed09-586b-4f63-8cc4-c8d55cb0fd0f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | methyl 3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoate |
| SMILES (Canonical) | CC1CCC(=C(C)C)C(C1(C)CC2=CNC3=CC=CC=C32)CCC(=O)OC |
| SMILES (Isomeric) | C[C@@H]1CCC(=C(C)C)[C@H]([C@]1(C)CC2=CNC3=CC=CC=C32)CCC(=O)OC |
| InChI | InChI=1S/C24H33NO2/c1-16(2)19-11-10-17(3)24(4,21(19)12-13-23(26)27-5)14-18-15-25-22-9-7-6-8-20(18)22/h6-9,15,17,21,25H,10-14H2,1-5H3/t17-,21-,24-/m1/s1 |
| InChI Key | WEVPJDIZBLFOEP-NYQDVAGCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H33NO2 |
| Molecular Weight | 367.50 g/mol |
| Exact Mass | 367.251129295 g/mol |
| Topological Polar Surface Area (TPSA) | 42.10 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of methyl 3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-3-1s2r3r-2-1h-indol-3-ylmethyl-23-dimethyl-6-propan-2-ylidenecyclohexylpropanoate.jpg "2D Structure of methyl 3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.77% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.44% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.94% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.96% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.81% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.27% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.14% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.62% | 94.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.59% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.28% | 94.45% |
| CHEMBL5028 | O14672 | ADAM10 | 84.43% | 97.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.77% | 97.79% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.31% | 98.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.08% | 88.56% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 82.96% | 95.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.21% | 94.23% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.92% | 92.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.35% | 89.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.34% | 97.64% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.13% | 98.59% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.09% | 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.
| Greenwayodendron suaveolens |
| PubChem | 46831975 |
| LOTUS | LTS0069275 |
| wikiData | Q105303607 |