7-(1H-indol-3-ylmethyl)-3a,7,8-trimethyl-1-propan-2-yl-3,4,5,6,6a,8,9,10-octahydrocyclopenta[j]naphthalen-4-ol
| Internal ID | 5e06272d-7e37-427a-ba70-d31117c931a3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 7-(1H-indol-3-ylmethyl)-3a,7,8-trimethyl-1-propan-2-yl-3,4,5,6,6a,8,9,10-octahydrocyclopenta[j]naphthalen-4-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H39NO/c1-18(2)22-13-14-27(5)25(30)11-10-24-26(4,19(3)12-15-28(22,24)27)16-20-17-29-23-9-7-6-8-21(20)23/h6-9,13,17-19,24-25,29-30H,10-12,14-16H2,1-5H3 |
| InChI Key | LAHNOUCHTJTZRF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H39NO |
| Molecular Weight | 405.60 g/mol |
| Exact Mass | 405.303164868 g/mol |
| Topological Polar Surface Area (TPSA) | 36.00 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of 7-(1H-indol-3-ylmethyl)-3a,7,8-trimethyl-1-propan-2-yl-3,4,5,6,6a,8,9,10-octahydrocyclopenta[j]naphthalen-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/65baf4d0-863b-11ee-8939-fdd6a8499588.jpg "2D Structure of 7-(1H-indol-3-ylmethyl)-3a,7,8-trimethyl-1-propan-2-yl-3,4,5,6,6a,8,9,10-octahydrocyclopenta[j]naphthalen-4-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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 99.59% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.55% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.94% | 97.25% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.43% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.02% | 98.95% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 95.78% | 95.92% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 95.33% | 88.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.70% | 90.08% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.50% | 96.61% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.72% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.51% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.13% | 97.09% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 90.75% | 95.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.08% | 92.62% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 88.81% | 95.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.72% | 94.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.82% | 95.89% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 87.47% | 90.71% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 84.86% | 96.31% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 84.28% | 95.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 84.19% | 89.44% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.09% | 85.49% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.57% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.13% | 89.62% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.01% | 95.83% |
| CHEMBL5028 | O14672 | ADAM10 | 82.91% | 97.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.86% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.62% | 98.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.42% | 92.88% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.84% | 91.49% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.54% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.09% | 89.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.35% | 97.64% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 85301538 |
| LOTUS | LTS0069407 |
| wikiData | Q104170754 |