(2R,4bS,8aS)-2-ethenyl-2,4b,8,8-tetramethyl-3,5,6,7,8a,9-hexahydro-1H-phenanthrene-4,10-dione
| Internal ID | 56491ede-f8b8-4b1e-892a-56e7c4838228 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2R,4bS,8aS)-2-ethenyl-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=C)C)C |
| SMILES (Isomeric) | C[C@]12CCCC([C@@H]1CC(=O)C3=C2C(=O)C[C@](C3)(C)C=C)(C)C |
| InChI | InChI=1S/C20H28O2/c1-6-19(4)11-13-14(21)10-16-18(2,3)8-7-9-20(16,5)17(13)15(22)12-19/h6,16H,1,7-12H2,2-5H3/t16-,19+,20-/m0/s1 |
| InChI Key | UDVYNNUMZDSKNV-DBVUQKKJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O2 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 4.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.37% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.30% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.29% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.45% | 94.75% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.30% | 97.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.07% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.55% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.36% | 82.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.11% | 93.04% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.93% | 86.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.14% | 97.79% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.41% | 98.00% |
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.
| Vellozia compacta |
| PubChem | 163064841 |
| LOTUS | LTS0097727 |
| wikiData | Q105270543 |