(-)-Longamide B
| Internal ID | 9e267136-061f-4867-a50c-edc9ac684b1f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > 2-heteroaryl carboxamides |
| IUPAC Name | 2-[(4S)-6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid |
| SMILES (Canonical) | C1C(N2C(=CC(=C2Br)Br)C(=O)N1)CC(=O)O |
| SMILES (Isomeric) | C1[C@@H](N2C(=CC(=C2Br)Br)C(=O)N1)CC(=O)O |
| InChI | InChI=1S/C9H8Br2N2O3/c10-5-2-6-9(16)12-3-4(1-7(14)15)13(6)8(5)11/h2,4H,1,3H2,(H,12,16)(H,14,15)/t4-/m0/s1 |
| InChI Key | DRDCMECERMJRNR-BYPYZUCNSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C9H8Br2N2O3 |
| Molecular Weight | 351.98 g/mol |
| Exact Mass | 351.88812 g/mol |
| Topological Polar Surface Area (TPSA) | 71.30 Ų |
| XlogP | 1.20 |
| (-)-Longamide B |
| CHEMBL465779 |
| 2-[(4S)-6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic 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 | 97.17% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.10% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.01% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.98% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.67% | 90.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.53% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.27% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.50% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.29% | 94.45% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.59% | 90.24% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.57% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.63% | 89.00% |
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.
| There are no matching plants. |
| PubChem | 11602770 |
| LOTUS | LTS0211299 |
| wikiData | Q104987336 |