(4R,4aS,6aS,6aS,6bR,8aS,11R,12aR,14aS,14bS)-11-hydroxy-4,4a,6a,6b,8a,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
| Internal ID | 1eb4d5bb-ee95-49cd-b6f7-2d8a16048424 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | (4R,4aS,6aS,6aS,6bR,8aS,11R,12aR,14aS,14bS)-11-hydroxy-4,4a,6a,6b,8a,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
| SMILES (Canonical) | CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)O)C)C)C)C)C |
| SMILES (Isomeric) | C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)O)C)C)C)C)C |
| InChI | InChI=1S/C29H48O2/c1-19-20(30)8-9-21-26(19,4)11-10-22-27(21,5)15-17-29(7)23-18-25(3,31)14-12-24(23,2)13-16-28(22,29)6/h19,21-23,31H,8-18H2,1-7H3/t19-,21+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1 |
| InChI Key | NSZYLJDFTNURIA-JIMOECDOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H48O2 |
| Molecular Weight | 428.70 g/mol |
| Exact Mass | 428.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 7.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.46% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.32% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.52% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.41% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.09% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.04% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.59% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.88% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.28% | 96.43% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.22% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.69% | 93.03% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.91% | 97.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.36% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.56% | 94.75% |
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.
| Euonymus revolutus |
| PubChem | 163009750 |
| LOTUS | LTS0202091 |
| wikiData | Q105185328 |