(15aS)-13,14,15,15a-Tetrahydro-3-methoxy-5H,11H-pyrrolo(2,1-c)quinazolino(3,2-a)(1,4)benzodiazepine-5,11-dione
| Internal ID | 5dd04a55-edc1-4b8d-bf66-5a045f65fe91 |
| Taxonomy | Organoheterocyclic compounds > Pyrimidodiazepines |
| IUPAC Name | (2S)-18-methoxy-6,14,22-triazapentacyclo[12.8.0.02,6.08,13.016,21]docosa-1(22),8,10,12,16(21),17,19-heptaene-7,15-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H17N3O3/c1-26-12-8-9-15-14(11-12)20(25)23-16-6-3-2-5-13(16)19(24)22-10-4-7-17(22)18(23)21-15/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3/t17-/m0/s1 |
| InChI Key | MLEAYJRUKNTODR-KRWDZBQOSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C20H17N3O3 |
| Molecular Weight | 347.40 g/mol |
| Exact Mass | 347.12699141 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 2.20 |
| Circumdatine H |
| (-)-Circumdatin H |
| 3BS8YZ86VK |
| UNII-3BS8YZ86VK |
| (S)-(-)-circumdatin H |
| CHEBI:65634 |
| 868528-39-6 |
| (15aS)-13,14,15,15a-Tetrahydro-3-methoxy-5H,11H-pyrrolo(2,1-C)quinazolino(3,2-a)(1,4)benzodiazepine-5,11-dione |
| 10H,15H-Pyrrolo(2,1-C)quinazolino(3,2-a)(1,4)benzodiazepine-10,15-dione, 5b,6,7,8-tetrahydro-2-methoxy-, (6bS)- |
| (5bS)-2-methoxy-5b,6,7,8-tetrahydro-10H,16H-pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-10,16-dione |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.16% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.44% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.86% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.61% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.69% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.77% | 96.09% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 94.55% | 92.67% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 93.65% | 93.31% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.88% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.25% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.10% | 99.15% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 90.36% | 98.46% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.24% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.82% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.57% | 98.75% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 87.25% | 91.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.03% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.57% | 93.40% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.06% | 99.18% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.90% | 96.67% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.07% | 82.69% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.87% | 80.78% |
| CHEMBL204 | P00734 | Thrombin | 81.74% | 96.01% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.01% | 97.36% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.00% | 88.48% |
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 | 46184995 |
| LOTUS | LTS0220173 |
| wikiData | Q16247724 |