(1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
| Internal ID | d3055d4d-1bb5-4b26-922d-cecd31d68db3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Sugar amino acids and derivatives > Bicyclic amino acids and derivatives |
| IUPAC Name | (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid |
| SMILES (Canonical) | C1C2C1C(NC2)C(=O)O |
| SMILES (Isomeric) | C1[C@H]2[C@@H]1[C@H](NC2)C(=O)O |
| InChI | InChI=1S/C6H9NO2/c8-6(9)5-4-1-3(4)2-7-5/h3-5,7H,1-2H2,(H,8,9)/t3-,4-,5+/m1/s1 |
| InChI Key | JBDOTWVUXVXVDR-WDCZJNDASA-N |
| Popularity | 11 references in papers |
| Molecular Formula | C6H9NO2 |
| Molecular Weight | 127.14 g/mol |
| Exact Mass | 127.063328530 g/mol |
| Topological Polar Surface Area (TPSA) | 49.30 Ų |
| XlogP | -2.40 |
| 33294-81-4 |
| 74984-02-4 |
| CHEMBL1311694 |
| (1R,2S,5S)-REL-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID |
| (1R,2S,5S)-Rel-3-Azabicyclo-[3.1.0]hexane-2-carboxylic acid |
| cis-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid |
| cis-3,4-methano-l-proline |
| MLS000736076 |
| SCHEMBL422735 |
| DTXSID90454134 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/07/1r2s5s-3-azabicyclo310hexane-2-carboxylic-acid.jpg "2D Structure of (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-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 | 88.87% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.40% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.69% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.47% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.42% | 94.45% |
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.
| Aesculus parviflora |
| Ephedra foeminea |
| PubChem | 11073435 |
| NPASS | NPC15864 |
| ChEMBL | CHEMBL1311694 |
| LOTUS | LTS0120587 |
| wikiData | Q72444210 |