2-[[(1S,2S,13S,15R)-2-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-10-en-11-yl]amino]-2-oxoacetic acid
| Internal ID | cdebbc1d-7716-47ec-ae2f-2b6aa4c89583 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-[[(1S,2S,13S,15R)-2-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-10-en-11-yl]amino]-2-oxoacetic acid |
| SMILES (Canonical) | CC1CC2CC(=C3CCCN4C3(C1)C2(CCC4)O)NC(=O)C(=O)O |
| SMILES (Isomeric) | C[C@@H]1C[C@H]2CC(=C3CCCN4[C@]3(C1)[C@@]2(CCC4)O)NC(=O)C(=O)O |
| InChI | InChI=1S/C18H26N2O4/c1-11-8-12-9-14(19-15(21)16(22)23)13-4-2-6-20-7-3-5-18(12,24)17(13,20)10-11/h11-12,24H,2-10H2,1H3,(H,19,21)(H,22,23)/t11-,12+,17+,18+/m1/s1 |
| InChI Key | JTJYZGTVZHYAHW-BVNNNZQISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H26N2O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.18925731 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of 2-[[(1S,2S,13S,15R)-2-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-10-en-11-yl]amino]-2-oxoacetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/cac80b50-8590-11ee-8a3e-fd11a84fde64.jpg "2D Structure of 2-[[(1S,2S,13S,15R)-2-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-10-en-11-yl]amino]-2-oxoacetic 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.33% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.37% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.44% | 97.09% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 85.81% | 95.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.01% | 97.25% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.63% | 95.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.58% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.12% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.00% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.85% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.03% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.45% | 93.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.39% | 90.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.14% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.16% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.08% | 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.
| Huperzia serrata |
| PubChem | 162854027 |
| LOTUS | LTS0195073 |
| wikiData | Q105134811 |