Methyl 9-hydroxy-7-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethylidene]-1,4a,8-trimethyl-10-oxo-2,3,4,4b,5,6,8,10a-octahydrophenanthrene-1-carboxylate
| Internal ID | 3a3f9e81-82ef-4630-82e9-c313192df79f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl 9-hydroxy-7-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethylidene]-1,4a,8-trimethyl-10-oxo-2,3,4,4b,5,6,8,10a-octahydrophenanthrene-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H35NO6/c1-14-15(13-17(27)25(4)11-12-26)7-8-16-18(14)19(28)20(29)21-23(16,2)9-6-10-24(21,3)22(30)31-5/h13-14,16,21,26,28H,6-12H2,1-5H3 |
| InChI Key | ZICKZZPBMOQRDF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H35NO6 |
| Molecular Weight | 433.50 g/mol |
| Exact Mass | 433.24643784 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of Methyl 9-hydroxy-7-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethylidene]-1,4a,8-trimethyl-10-oxo-2,3,4,4b,5,6,8,10a-octahydrophenanthrene-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/b4339f10-85ab-11ee-88c1-eb1d781afd1d.jpg "2D Structure of Methyl 9-hydroxy-7-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethylidene]-1,4a,8-trimethyl-10-oxo-2,3,4,4b,5,6,8,10a-octahydrophenanthrene-1-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.75% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.90% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.71% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.11% | 96.21% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.07% | 97.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.02% | 91.19% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.98% | 98.10% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.56% | 90.08% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.48% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.41% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.29% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.16% | 92.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.86% | 94.75% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.77% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.45% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.41% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.79% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.67% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.07% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.52% | 95.50% |
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.
| Erythrophleum fordii |
| PubChem | 163077276 |
| LOTUS | LTS0211663 |
| wikiData | Q105376250 |