(2S,4aR,4bS,8aS)-2-ethenyl-2,4b-dimethyl-8-methylidene-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene
| Internal ID | 47d616e9-c836-4937-84ad-291aa0d0fa0f |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes |
| IUPAC Name | (2S,4aR,4bS,8aS)-2-ethenyl-2,4b-dimethyl-8-methylidene-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene |
| SMILES (Canonical) | CC1(CCC2C(=CCC3C2(CCCC3=C)C)C1)C=C |
| SMILES (Isomeric) | C[C@@]1(CC[C@@H]2C(=CC[C@@H]3[C@@]2(CCCC3=C)C)C1)C=C |
| InChI | InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1 |
| InChI Key | BDOVQRGWITVTSL-RDGPPVDQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H28 |
| Molecular Weight | 256.40 g/mol |
| Exact Mass | 256.219100893 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 5.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.73% | 97.25% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 89.73% | 99.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.72% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.33% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.01% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.01% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.78% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.96% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.98% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.73% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.67% | 91.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.34% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.98% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.75% | 92.94% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.91% | 99.18% |
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.
| Halocarpus biformis |
| PubChem | 163008190 |
| LOTUS | LTS0037730 |
| wikiData | Q104924524 |