(3S,11aR,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
| Internal ID | 90bdb65f-b256-41e3-b113-6937133de2a3 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Naphthyridines > Naphthyridine carboxylic acids and derivatives |
| IUPAC Name | (3S,11aR,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid |
| SMILES (Canonical) | C1CCN2C=C(C3=NC(CCC3C2C1)C(=O)O)CCC(C(=O)O)N |
| SMILES (Isomeric) | C1CCN2C=C(C3=N[C@@H](CC[C@H]3[C@H]2C1)C(=O)O)CC[C@@H](C(=O)O)N |
| InChI | InChI=1S/C17H25N3O4/c18-12(16(21)22)6-4-10-9-20-8-2-1-3-14(20)11-5-7-13(17(23)24)19-15(10)11/h9,11-14H,1-8,18H2,(H,21,22)(H,23,24)/t11-,12-,13-,14+/m0/s1 |
| InChI Key | FCKFWNBMOKKZJC-XDQVBPFNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H25N3O4 |
| Molecular Weight | 335.40 g/mol |
| Exact Mass | 335.18450629 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | -1.70 |
| There are no found synonyms. |
![2D Structure of (3S,11aR,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/f9ca22c0-8612-11ee-82e6-d57f8af5fc14.jpg "2D Structure of (3S,11aR,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic 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 | 98.67% | 96.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.78% | 83.57% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.30% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.13% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.55% | 94.45% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 90.31% | 86.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.30% | 97.09% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 88.13% | 98.77% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 86.36% | 98.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.55% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.59% | 95.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.56% | 95.17% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 83.34% | 96.03% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.49% | 95.93% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.86% | 93.04% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.98% | 93.00% |
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.
| Oryza sativa |
| PubChem | 102166039 |
| LOTUS | LTS0180843 |
| wikiData | Q104993181 |