(3S,8S,11aS,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3,8-dicarboxylic acid
| Internal ID | 640e99ba-7bb1-4de7-acbb-31e0e9dc99c9 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Naphthyridines > Naphthyridine carboxylic acids and derivatives |
| IUPAC Name | (3S,8S,11aS,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3,8-dicarboxylic acid |
| SMILES (Canonical) | C1CC2C3CCC(N=C3C(=CN2C(C1)C(=O)O)CCC(C(=O)O)N)C(=O)O |
| SMILES (Isomeric) | C1C[C@H]2[C@@H]3CC[C@H](N=C3C(=CN2[C@@H](C1)C(=O)O)CC[C@@H](C(=O)O)N)C(=O)O |
| InChI | InChI=1S/C18H25N3O6/c19-11(16(22)23)6-4-9-8-21-13(2-1-3-14(21)18(26)27)10-5-7-12(17(24)25)20-15(9)10/h8,10-14H,1-7,19H2,(H,22,23)(H,24,25)(H,26,27)/t10-,11-,12-,13-,14-/m0/s1 |
| InChI Key | SHGUDPYPHXWETM-PEDHHIEDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H25N3O6 |
| Molecular Weight | 379.40 g/mol |
| Exact Mass | 379.17433553 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | -2.10 |
| There are no found synonyms. |
![2D Structure of (3S,8S,11aS,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3,8-dicarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5eb87990-859d-11ee-bfdb-d360a08288be.jpg "2D Structure of (3S,8S,11aS,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3,8-dicarboxylic 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 | 98.25% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.95% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.73% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.74% | 98.95% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 89.00% | 86.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.16% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.68% | 94.45% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 85.79% | 98.77% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.70% | 98.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.80% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.53% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.52% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.42% | 90.71% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.70% | 94.00% |
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 | 102044275 |
| LOTUS | LTS0174679 |
| wikiData | Q105252964 |