Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-7-methoxy-1,1,4a-trimethyl-8-(1-methylethyl)-, (4aS,10aS)-
| Internal ID | 5bce06b9-4923-433e-b845-3f0943cdea2f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aS,10aS)-7-methoxy-1,1,4a-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H32O/c1-14(2)19-15-8-11-18-20(3,4)12-7-13-21(18,5)16(15)9-10-17(19)22-6/h9-10,14,18H,7-8,11-13H2,1-6H3/t18-,21+/m0/s1 |
| InChI Key | DORDKDUSCNWFPJ-GHTZIAJQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H32O |
| Molecular Weight | 300.50 g/mol |
| Exact Mass | 300.245315640 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 7.00 |
| RefChem:860528 |
| Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-7-methoxy-1,1,4a-trimethyl-8-(1-methylethyl)-, (4aS,10aS)- |
| DORDKDUSCNWFPJ-GHTZIAJQSA-N |
| (4aS,10aS)-7-methoxy-1,1,4a-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene |
| Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-7-methoxy-1,1,4a-trimethyl-8-(1-methylethyl)-, (4aS,10aS |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.70% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.68% | 93.99% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.64% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.23% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.51% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.48% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.26% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.65% | 97.09% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 87.42% | 92.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.22% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.82% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.17% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.65% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.62% | 97.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.63% | 82.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.59% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.21% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.12% | 86.33% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.96% | 85.30% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.55% | 96.43% |
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.
| Thujopsis dolabrata |
| PubChem | 11120139 |
| LOTUS | LTS0127204 |
| wikiData | Q104986146 |