3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propan-1-ol
| Internal ID | 44e2ac7f-9fc4-4018-bfdb-e85160276c78 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propan-1-ol |
| SMILES (Canonical) | CC1CCC(=C(C)C)C(C1(C)CC2=CNC3=CC=CC=C32)CCCO |
| SMILES (Isomeric) | C[C@@H]1CCC(=C(C)C)[C@H]([C@]1(C)CC2=CNC3=CC=CC=C32)CCCO |
| InChI | InChI=1S/C23H33NO/c1-16(2)19-12-11-17(3)23(4,21(19)9-7-13-25)14-18-15-24-22-10-6-5-8-20(18)22/h5-6,8,10,15,17,21,24-25H,7,9,11-14H2,1-4H3/t17-,21-,23-/m1/s1 |
| InChI Key | XKDCSKJZLVZVRD-ODOSVJCGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H33NO |
| Molecular Weight | 339.50 g/mol |
| Exact Mass | 339.256214676 g/mol |
| Topological Polar Surface Area (TPSA) | 36.00 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propan-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3-1s2r3r-2-1h-indol-3-ylmethyl-23-dimethyl-6-propan-2-ylidenecyclohexylpropan-1-ol.jpg "2D Structure of 3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propan-1-ol")
| 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 | 99.60% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.92% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.47% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.44% | 98.95% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 94.03% | 88.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.31% | 94.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.18% | 97.79% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 89.23% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.02% | 95.56% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 88.95% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.86% | 92.62% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.02% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.27% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.14% | 93.99% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 83.90% | 85.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.19% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.43% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.22% | 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.
| Greenwayodendron suaveolens |
| PubChem | 46831720 |
| LOTUS | LTS0049372 |
| wikiData | Q105329412 |