2-amino-4-[7-hydroxy-2,4b,8,8,10a-pentamethyl-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-3-methoxybutanoic acid
| Internal ID | 00a9687e-5dbe-4a66-a336-e869aa52e544 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides |
| IUPAC Name | 2-amino-4-[7-hydroxy-2,4b,8,8,10a-pentamethyl-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-3-methoxybutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H51NO9/c1-14-8-9-20-29(5,16(14)12-17(38-7)21(31)26(36)37)11-10-19-28(3,4)25(35)18(13-30(19,20)6)40-27-24(34)23(33)22(32)15(2)39-27/h8,15-25,27,32-35H,9-13,31H2,1-7H3,(H,36,37) |
| InChI Key | LUNXVGWMJOCBHF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H51NO9 |
| Molecular Weight | 569.70 g/mol |
| Exact Mass | 569.35638220 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of 2-amino-4-[7-hydroxy-2,4b,8,8,10a-pentamethyl-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-3-methoxybutanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/0d217f60-856b-11ee-872f-7fce47fa7ad9.jpg "2D Structure of 2-amino-4-[7-hydroxy-2,4b,8,8,10a-pentamethyl-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-3-methoxybutanoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.52% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.76% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.67% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.33% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.93% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.28% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.94% | 95.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.66% | 97.36% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.53% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.53% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.09% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.21% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.85% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 83.20% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.78% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.16% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.33% | 94.73% |
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 | 72754215 |
| LOTUS | LTS0081365 |
| wikiData | Q104171338 |