Desacetylnemorone
| Internal ID | bffe60a9-5572-4c0c-8a4e-3de82c13dcde |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids > 19-oxosteroids |
| IUPAC Name | (4aR,9R,10aS)-8,9-dihydroxy-1,1-dimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carbaldehyde |
| SMILES (Canonical) | CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2O)(C)C)C=O)O |
| SMILES (Isomeric) | CC(C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC([C@@H]3C[C@H]2O)(C)C)C=O)O |
| InChI | InChI=1S/C20H26O5/c1-10(2)13-16(23)14-11(22)8-12-19(3,4)6-5-7-20(12,9-21)15(14)18(25)17(13)24/h9-12,22-23H,5-8H2,1-4H3/t11-,12+,20-/m1/s1 |
| InChI Key | HPMUDJFIIIEWMO-XAAFQQQXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H26O5 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 91.70 Ų |
| XlogP | 1.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.19% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.15% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.94% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.83% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.75% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.72% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.68% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.76% | 93.40% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.15% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.70% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.51% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.49% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.22% | 93.03% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 85.03% | 95.69% |
| CHEMBL268 | P43235 | Cathepsin K | 84.93% | 96.85% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.17% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.80% | 91.07% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.34% | 91.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.04% | 97.09% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 81.98% | 91.38% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.81% | 96.61% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.70% | 91.24% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.86% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.23% | 91.19% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.04% | 92.88% |
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.
| Salvia lanigera |
| Salvia pubescens |
| PubChem | 13970363 |
| LOTUS | LTS0230233 |
| wikiData | Q105031765 |