(6aS,6aS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,7,8a,11,14a-hexamethyl-6a,8,9,11,12,12a,13,14-octahydropicene-2,6,10-trione
| Internal ID | c63a5ed4-2143-4ab4-9ae8-610d62d09ac9 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 3-hydroxysteroids |
| IUPAC Name | (6aS,6aS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,7,8a,11,14a-hexamethyl-6a,8,9,11,12,12a,13,14-octahydropicene-2,6,10-trione |
| SMILES (Canonical) | CC1CC2C3(CCC4(C(C3=C(CC2(CC1=O)C)C)C(=O)C=C5C4=CC(=O)C(=C5C)O)C)C |
| SMILES (Isomeric) | C[C@@H]1C[C@H]2[C@@]3(CC[C@@]4([C@@H](C3=C(C[C@]2(CC1=O)C)C)C(=O)C=C5C4=CC(=O)C(=C5C)O)C)C |
| InChI | InChI=1S/C28H34O4/c1-14-9-22-26(4,13-21(14)31)12-15(2)23-24-19(29)10-17-16(3)25(32)20(30)11-18(17)27(24,5)7-8-28(22,23)6/h10-11,14,22,24,32H,7-9,12-13H2,1-6H3/t14-,22-,24-,26+,27+,28+/m1/s1 |
| InChI Key | LUSKWXDBHNQVEL-HPKMVRHJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H34O4 |
| Molecular Weight | 434.60 g/mol |
| Exact Mass | 434.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 3.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.26% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.71% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.28% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.05% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.04% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.63% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.07% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.07% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.37% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.59% | 100.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.98% | 94.78% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.72% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.17% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.13% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.95% | 85.14% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.91% | 86.00% |
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.
| There are no matching plants. |
| PubChem | 50907762 |
| LOTUS | LTS0236347 |
| wikiData | Q105157615 |