(1S,4R,4aS,5S,7R,7aS,8S,9R,11aS)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,8,9,10,11-dodecahydrobenzo[d]naphthalene-1,5-diol
| Internal ID | c224038b-b1b8-4232-8d9e-7001c1d9b977 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1S,4R,4aS,5S,7R,7aS,8S,9R,11aS)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,8,9,10,11-dodecahydrobenzo[d]naphthalene-1,5-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H39NO2/c1-16(2)19-12-13-28-23(30)11-10-18(4)27(28,5)24(31)14-17(3)26(28)25(19)21-15-29-22-9-7-6-8-20(21)22/h6-9,15,17-19,23-26,29-31H,1,10-14H2,2-5H3/t17-,18-,19+,23+,24+,25-,26+,27-,28+/m1/s1 |
| InChI Key | KHMAONVROPNUDX-UGLSPBKISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H39NO2 |
| Molecular Weight | 421.60 g/mol |
| Exact Mass | 421.298079487 g/mol |
| Topological Polar Surface Area (TPSA) | 56.30 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of (1S,4R,4aS,5S,7R,7aS,8S,9R,11aS)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,8,9,10,11-dodecahydrobenzo[d]naphthalene-1,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/6bddc000-8740-11ee-96c3-31f045d8a78f.jpg "2D Structure of (1S,4R,4aS,5S,7R,7aS,8S,9R,11aS)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,8,9,10,11-dodecahydrobenzo[d]naphthalene-1,5-diol")
| 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 | 99.09% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.23% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.27% | 97.79% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.14% | 91.49% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 89.08% | 92.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.53% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.75% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.57% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.28% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.05% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.44% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.29% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.18% | 94.45% |
| CHEMBL5028 | O14672 | ADAM10 | 83.46% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.27% | 92.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.88% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.76% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.21% | 100.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.16% | 94.62% |
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 | 21725955 |
| LOTUS | LTS0071165 |
| wikiData | Q105141219 |