(4bS)-2-[(1S)-1,2-dihydroxyethyl]-2,4b,8,8-tetramethyl-3,5,6,7,8a,9-hexahydro-1H-phenanthrene-4,10-dione
| Internal ID | 7afd4421-a71a-47fe-8cfd-cc3fa9fae972 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4bS)-2-[(1S)-1,2-dihydroxyethyl]-2,4b,8,8-tetramethyl-3,5,6,7,8a,9-hexahydro-1H-phenanthrene-4,10-dione |
| SMILES (Canonical) | CC1(CCCC2(C1CC(=O)C3=C2C(=O)CC(C3)(C)C(CO)O)C)C |
| SMILES (Isomeric) | C[C@]12CCCC(C1CC(=O)C3=C2C(=O)CC(C3)(C)[C@@H](CO)O)(C)C |
| InChI | InChI=1S/C20H30O4/c1-18(2)6-5-7-20(4)15(18)8-13(22)12-9-19(3,16(24)11-21)10-14(23)17(12)20/h15-16,21,24H,5-11H2,1-4H3/t15?,16-,19?,20+/m1/s1 |
| InChI Key | HUYFJVXBSKMUTN-JPLFBADVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (4bS)-2-[(1S)-1,2-dihydroxyethyl]-2,4b,8,8-tetramethyl-3,5,6,7,8a,9-hexahydro-1H-phenanthrene-4,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/849d7740-85cf-11ee-948f-01800884c24a.jpg "2D Structure of (4bS)-2-[(1S)-1,2-dihydroxyethyl]-2,4b,8,8-tetramethyl-3,5,6,7,8a,9-hexahydro-1H-phenanthrene-4,10-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.18% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.15% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.40% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.22% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.82% | 98.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.46% | 82.69% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.00% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.42% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.37% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.93% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.34% | 85.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.23% | 93.04% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.00% | 90.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.39% | 96.61% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.12% | 90.71% |
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.
| Lavandula multifida |
| PubChem | 162956568 |
| LOTUS | LTS0173999 |
| wikiData | Q105034122 |