8-[(6-hydroxy-1H-indol-3-yl)methyl]-1,4b,7,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-one
| Internal ID | bf89db49-5896-4716-8b39-bb03e093d37e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | 8-[(6-hydroxy-1H-indol-3-yl)methyl]-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/C28H39NO2/c1-17-10-12-27(4)24-9-8-23(31)18(2)26(24,3)13-11-25(27)28(17,5)15-19-16-29-22-14-20(30)6-7-21(19)22/h6-7,14,16-18,24-25,29-30H,8-13,15H2,1-5H3 |
| InChI Key | QUXMSGOZWRNNMC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H39NO2 |
| Molecular Weight | 421.60 g/mol |
| Exact Mass | 421.298079487 g/mol |
| Topological Polar Surface Area (TPSA) | 53.10 Ų |
| XlogP | 7.30 |
| There are no found synonyms. |
![2D Structure of 8-[(6-hydroxy-1H-indol-3-yl)methyl]-1,4b,7,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/04adb490-8436-11ee-a83e-bd4c6b915773.jpg "2D Structure of 8-[(6-hydroxy-1H-indol-3-yl)methyl]-1,4b,7,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-one")
| 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 | 99.18% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.17% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.00% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.25% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.89% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.11% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.92% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.66% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.75% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.54% | 93.99% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.64% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.14% | 100.00% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 86.04% | 90.71% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.92% | 88.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.92% | 89.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.45% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.00% | 98.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.89% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.43% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.05% | 91.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.46% | 99.23% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.24% | 96.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.00% | 93.40% |
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 | 73801770 |
| LOTUS | LTS0132606 |
| wikiData | Q104196231 |