Pyrenoline B
| Internal ID | 7ad8f20a-84b0-4b64-bfbd-a25f80387768 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives |
| IUPAC Name | (6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H13NO3/c1-7-4-8-5-9-11(16)2-3-12(17)13(9)14(18)10(8)6-15-7/h4-6,11,16,18H,2-3H2,1H3/t11-/m0/s1 |
| InChI Key | NIYXKENUJWLUGW-NSHDSACASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.26 g/mol |
| Exact Mass | 243.08954328 g/mol |
| Topological Polar Surface Area (TPSA) | 70.40 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.18% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.92% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.02% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.08% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.11% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.45% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.65% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.74% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.59% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.02% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.81% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.39% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.35% | 94.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.19% | 92.94% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.83% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.71% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.20% | 95.89% |
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 | 139585431 |
| LOTUS | LTS0192032 |
| wikiData | Q77422301 |