(3S,4aR,6aS,6bS,8aR,12aR,14bS)-3-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,7,8,9,10,12,12a,13,14-dodecahydro-1H-picen-6-one
| Internal ID | 50149850-64bb-424b-a673-58a0ca8c356e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (3S,4aR,6aS,6bS,8aR,12aR,14bS)-3-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,7,8,9,10,12,12a,13,14-dodecahydro-1H-picen-6-one |
| SMILES (Canonical) | CC1(CCC2(CCC3(C4=C(CCC3(C2C1)C)C5(CCC(C(C5CC4=O)(C)C)O)C)C)C)C |
| SMILES (Isomeric) | C[C@@]12CC[C@@]3(C4=C(CC[C@]3([C@@H]1CC(CC2)(C)C)C)[C@]5(CC[C@@H](C([C@@H]5CC4=O)(C)C)O)C)C |
| InChI | InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-30(8)24-19(9-12-29(30,7)22(27)18-25)28(6)11-10-23(32)26(3,4)21(28)17-20(24)31/h21-23,32H,9-18H2,1-8H3/t21-,22+,23-,27+,28+,29-,30+/m0/s1 |
| InChI Key | FUEOKCWSAZKORQ-JEJCRBPWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O2 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 7.90 |
| 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 | 95.12% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.06% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.60% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.86% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.72% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.85% | 93.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.45% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.54% | 82.69% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.03% | 95.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.94% | 95.56% |
| CHEMBL204 | P00734 | Thrombin | 85.84% | 96.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.87% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.36% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.41% | 99.23% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.68% | 94.78% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 81.25% | 91.38% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.35% | 93.00% |
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.
| Euphorbia chamaesyce |
| Euphorbia maculata |
| PubChem | 10365992 |
| LOTUS | LTS0164146 |
| wikiData | Q105001649 |