10-Hydroxyakagerine
| Internal ID | b362103a-ddae-41c9-8b94-db962b8a7d96 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | (E)-2-(9,14-dihydroxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraen-7-yl)but-2-enal |
| SMILES (Canonical) | CC=C(C=O)C1CC2C3=C(CCN2C)C4=C(N3C(C1)O)C=CC(=C4)O |
| SMILES (Isomeric) | C/C=C(/C=O)\C1CC2C3=C(CCN2C)C4=C(N3C(C1)O)C=CC(=C4)O |
| InChI | InChI=1S/C20H24N2O3/c1-3-12(11-23)13-8-18-20-15(6-7-21(18)2)16-10-14(24)4-5-17(16)22(20)19(25)9-13/h3-5,10-11,13,18-19,24-25H,6-9H2,1-2H3/b12-3- |
| InChI Key | AIENSZLGKYKXFJ-BASWHVEKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O3 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 65.70 Ų |
| XlogP | 1.80 |
| AIENSZLGKYKXFJ-BASWHVEKSA-N |
| (2E)-2-(7,10-Dihydroxy-3-methyl-1,2,3,3a,4,5,6,7-octahydro-3,7a-diazacyclohepta[jk]fluoren-5-yl)-2-butenal # |
| 3,7a-Diazacyclohepta[jk]fluorene-5-acetaldehyde, .alpha.-ethylidene-1,2,3,3a,4,5,6,7-octahydro-7,10- |
| 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 | 97.38% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.82% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.72% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.29% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.47% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.97% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.93% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.71% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.10% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.78% | 95.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.38% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.38% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.29% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.18% | 91.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.16% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.01% | 98.95% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.92% | 90.24% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.82% | 98.75% |
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.
| Strychnos spinosa |
| PubChem | 5375629 |
| LOTUS | LTS0184201 |
| wikiData | Q105095570 |