CID 139583823
| Internal ID | 0bab333e-272e-4842-bf76-49a22ea7b570 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones |
| IUPAC Name | 5,8a-dihydroxy-5,7,7-trimethyl-6,8-dihydro-5aH-cyclopenta[g]isoquinolin-9-one |
| SMILES (Canonical) | CC1(CC2C(C3=C(C=NC=C3)C(=O)C2(C1)O)(C)O)C |
| SMILES (Isomeric) | CC1(CC2C(C3=C(C=NC=C3)C(=O)C2(C1)O)(C)O)C |
| InChI | InChI=1S/C15H19NO3/c1-13(2)6-11-14(3,18)10-4-5-16-7-9(10)12(17)15(11,19)8-13/h4-5,7,11,18-19H,6,8H2,1-3H3 |
| InChI Key | UESUCCHYYLQPNA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.32 g/mol |
| Exact Mass | 261.13649347 g/mol |
| Topological Polar Surface Area (TPSA) | 70.40 Ų |
| XlogP | 0.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.86% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.34% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.28% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.12% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.98% | 85.30% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.84% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.26% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.13% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.91% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.23% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.08% | 91.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.21% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.15% | 98.59% |
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 | 139583823 |
| LOTUS | LTS0210446 |
| wikiData | Q75067899 |