(1R,4aS,4bS,7R,8S,8aS,10aS)-8-(6-hydroxy-1H-indol-3-yl)-1,4b,7,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-one
| Internal ID | e9a28b2d-1fc0-4825-97c5-1553a544216c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | (1R,4aS,4bS,7R,8S,8aS,10aS)-8-(6-hydroxy-1H-indol-3-yl)-1,4b,7,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H37NO2/c1-16-10-12-26(4)23-9-8-22(30)17(2)25(23,3)13-11-24(26)27(16,5)20-15-28-21-14-18(29)6-7-19(20)21/h6-7,14-17,23-24,28-29H,8-13H2,1-5H3/t16-,17+,23-,24+,25-,26+,27-/m1/s1 |
| InChI Key | JZXJOUCZGSLUPN-PEZJXMIGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H37NO2 |
| Molecular Weight | 407.60 g/mol |
| Exact Mass | 407.282429423 g/mol |
| Topological Polar Surface Area (TPSA) | 53.10 Ų |
| XlogP | 7.00 |
| 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 | 98.60% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.80% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.74% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.01% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.78% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.35% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.05% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.13% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.09% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.85% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.25% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.53% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.76% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.69% | 93.99% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 84.73% | 90.71% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.67% | 95.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.51% | 82.69% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.06% | 95.56% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.96% | 93.18% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.88% | 99.23% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.92% | 91.38% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.09% | 98.35% |
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 | 101616406 |
| LOTUS | LTS0010645 |
| wikiData | Q105137699 |