(1R,4S,4aR,7S,8S,8aR)-8-(1H-indol-3-ylmethyl)-4,4a,7-trimethyl-8a-(4-methylpent-3-enyl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-ol
| Internal ID | ee78391f-b615-4134-abc3-567ec3e8adc7 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (1R,4S,4aR,7S,8S,8aR)-8-(1H-indol-3-ylmethyl)-4,4a,7-trimethyl-8a-(4-methylpent-3-enyl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-ol |
| SMILES (Canonical) | CC1CCC2(C(CCC(C2(C1CC3=CNC4=CC=CC=C43)CCC=C(C)C)O)C)C |
| SMILES (Isomeric) | C[C@H]1CC[C@@]2([C@H](CC[C@H]([C@@]2([C@H]1CC3=CNC4=CC=CC=C43)CCC=C(C)C)O)C)C |
| InChI | InChI=1S/C28H41NO/c1-19(2)9-8-15-28-24(17-22-18-29-25-11-7-6-10-23(22)25)20(3)14-16-27(28,5)21(4)12-13-26(28)30/h6-7,9-11,18,20-21,24,26,29-30H,8,12-17H2,1-5H3/t20-,21-,24-,26+,27+,28-/m0/s1 |
| InChI Key | FPEXNLMEEYKYDQ-MFTJFIPNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H41NO |
| Molecular Weight | 407.60 g/mol |
| Exact Mass | 407.318814931 g/mol |
| Topological Polar Surface Area (TPSA) | 36.00 Ų |
| XlogP | 8.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.71% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.38% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.54% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.25% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.69% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.92% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.27% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.25% | 92.62% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.67% | 88.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.03% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.86% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.66% | 90.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.04% | 97.79% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.01% | 93.99% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.45% | 89.44% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.26% | 98.59% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.18% | 94.62% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 82.92% | 95.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.77% | 96.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.65% | 95.89% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 81.44% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.32% | 86.33% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.08% | 97.64% |
| CHEMBL5028 | O14672 | ADAM10 | 80.71% | 97.50% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.55% | 95.56% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 80.48% | 95.00% |
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.
| There are no matching plants. |
| PubChem | 102265194 |
| LOTUS | LTS0043600 |
| wikiData | Q104999141 |