2,4b(1H)-Phenanthrenediol, 7-ethenyl-2,3,4,4a,5,6,7,9,10,10a-decahydro-1,1,4a,7-tetramethyl-, [2S-(2alpha,4aalpha,4bbeta,7beta,10abeta)]-
| Internal ID | 1c26cc89-91e0-46e6-ab2c-47c5f7e10959 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes |
| IUPAC Name | (2S,4aS,4bR,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-2,4b-diol |
| SMILES (Canonical) | CC1(C2CCC3=CC(CCC3(C2(CCC1O)C)O)(C)C=C)C |
| SMILES (Isomeric) | C[C@@]1(CC[C@]2(C(=C1)CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)O)C=C |
| InChI | InChI=1S/C20H32O2/c1-6-18(4)11-12-20(22)14(13-18)7-8-15-17(2,3)16(21)9-10-19(15,20)5/h6,13,15-16,21-22H,1,7-12H2,2-5H3/t15-,16-,18-,19-,20+/m0/s1 |
| InChI Key | RGLTYROISYBKIW-CZKCSJLSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.00 |
| 2,4b(1H)-Phenanthrenediol, 7-ethenyl-2,3,4,4a,5,6,7,9,10,10a-decahydro-1,1,4a,7-tetramethyl-, [2S-(2alpha,4aalpha,4bbeta,7beta,10abeta)]- |
![2D Structure of 2,4b(1H)-Phenanthrenediol, 7-ethenyl-2,3,4,4a,5,6,7,9,10,10a-decahydro-1,1,4a,7-tetramethyl-, [2S-(2alpha,4aalpha,4bbeta,7beta,10abeta)]-](https://plantaedb.com/storage/docs/compounds/2023/11/722bd640-85cf-11ee-8e69-0f70b9db20b7.jpg "2D Structure of 2,4b(1H)-Phenanthrenediol, 7-ethenyl-2,3,4,4a,5,6,7,9,10,10a-decahydro-1,1,4a,7-tetramethyl-, [2S-(2alpha,4aalpha,4bbeta,7beta,10abeta)]-")
| 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 |
|---|---|---|---|---|
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.64% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.17% | 96.09% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 88.91% | 99.43% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.71% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.75% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.38% | 95.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.38% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.02% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.27% | 95.89% |
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.
| Oryza sativa |
| PubChem | 10267054 |
| LOTUS | LTS0051355 |
| wikiData | Q105235945 |