18-Hydroxy-12-methyl-2,7,11,13-tetrazapentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),13,15-pentaene-6-carboxylic acid
| Internal ID | a3069e59-e369-49f6-842e-2797c19eaaa4 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinoline carboxylic acids |
| IUPAC Name | 18-hydroxy-12-methyl-2,7,11,13-tetrazapentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),13,15-pentaene-6-carboxylic acid |
| SMILES (Canonical) | CC1NC2CCN3C(CC4=C5C3=C2C(=N1)C(=C5N=C4)O)C(=O)O |
| SMILES (Isomeric) | CC1NC2CCN3C(CC4=C5C3=C2C(=N1)C(=C5N=C4)O)C(=O)O |
| InChI | InChI=1S/C16H16N4O3/c1-6-18-8-2-3-20-9(16(22)23)4-7-5-17-12-10(7)14(20)11(8)13(19-6)15(12)21/h5-6,8-9,18,21H,2-4H2,1H3,(H,22,23) |
| InChI Key | KJCDJSBKHGBMGO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16N4O3 |
| Molecular Weight | 312.32 g/mol |
| Exact Mass | 312.12224039 g/mol |
| Topological Polar Surface Area (TPSA) | 97.50 Ų |
| XlogP | -3.40 |
| There are no found synonyms. |
![2D Structure of 18-Hydroxy-12-methyl-2,7,11,13-tetrazapentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),13,15-pentaene-6-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/7d6216e0-854d-11ee-98f9-45dc0f92ec5c.jpg "2D Structure of 18-Hydroxy-12-methyl-2,7,11,13-tetrazapentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),13,15-pentaene-6-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.03% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.41% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.87% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.69% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.54% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.69% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.18% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.79% | 90.00% |
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 | 162903685 |
| LOTUS | LTS0011416 |
| wikiData | Q104170322 |