Aminobenzoate D
| Internal ID | 62b297f9-68a7-4d9c-859b-a82b9b78635e |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives > Indolecarboxylic acids |
| IUPAC Name | (6R,9R,9aS)-9-hydroxy-6-(2-hydroxypropan-2-yl)-9-methyl-7,8,9a,10-tetrahydro-6H-pyrido[1,2-a]indole-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H23NO4/c1-16(2,21)13-6-7-17(3,22)14-9-11-8-10(15(19)20)4-5-12(11)18(13)14/h4-5,8,13-14,21-22H,6-7,9H2,1-3H3,(H,19,20)/t13-,14+,17-/m1/s1 |
| InChI Key | FPQVKUQAXFGZIE-JKIFEVAISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H23NO4 |
| Molecular Weight | 305.40 g/mol |
| Exact Mass | 305.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 81.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.53% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.61% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.61% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.31% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.02% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.12% | 95.62% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.97% | 93.04% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.29% | 89.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.56% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.24% | 93.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.97% | 90.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.26% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 82.86% | 97.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.26% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.05% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.06% | 89.00% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 80.02% | 95.71% |
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 | 146683523 |
| LOTUS | LTS0203127 |
| wikiData | Q105100346 |