Uct 4B
| Internal ID | c6ce3d67-7182-476b-9bf6-aff641d8110d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | 2-[2-[1-hydroxy-2-[3-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-4-oxo-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]ethyl]oxiran-2-yl]-2-oxoacetaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O7/c1-11-16(25)17(26)19(3)12(8-21)5-4-6-13(19)18(11,2)7-14(23)20(10-27-20)15(24)9-22/h5,9,11,13-14,16,21,23,25H,4,6-8,10H2,1-3H3 |
| InChI Key | MLIJBZORKJUODY-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C20H28O7 |
| Molecular Weight | 380.40 g/mol |
| Exact Mass | 380.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | -0.10 |
| 2-(1-Hydroxy-2-(1,2,3,4,4a,7,8,8a-octahydro-3-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-4-oxo-1-naphthalenyl)ethyl)-alpha-oxooxiraneacetaldehyde |
| Uct 4B |
| Uct-4B |
| Uct4b |
| DTXSID90931778 |
| 2-[2-[1-hydroxy-2-[3-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-4-oxo-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]ethyl]oxiran-2-yl]-2-oxoacetaldehyde |
| (2-{1-Hydroxy-2-[3-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-4-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]ethyl}oxiran-2-yl)(oxo)acetaldehyde |
| Oxiraneacetaldehyde, 2-(1-hydroxy-2-(1,2,3,4,4a,7,8,8a-octahydro-3-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-4-oxo-1-naphthalenyl)ethyl)-alpha-oxo- |
| 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 | 96.91% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.30% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.39% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.75% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.54% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.39% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.70% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.61% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.56% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.33% | 96.77% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.01% | 95.71% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.89% | 98.10% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.52% | 91.19% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 82.42% | 97.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.39% | 89.34% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.01% | 94.80% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.41% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.33% | 97.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.13% | 98.75% |
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.
| There are no matching plants. |
| PubChem | 124274 |
| LOTUS | LTS0101712 |
| wikiData | Q77508872 |