(1S,9S,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
| Internal ID | b650c7af-f2e8-4a8a-a396-0379966422cb |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Anagyrine-type alkaloids |
| IUPAC Name | (1S,9S,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one |
| SMILES (Canonical) | C1CN2CC3CC(C2CC1O)CN4C3=CC=CC4=O |
| SMILES (Isomeric) | C1CN2C[C@@H]3C[C@H]([C@H]2C[C@H]1O)CN4C3=CC=CC4=O |
| InChI | InChI=1S/C15H20N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h1-3,10-12,14,18H,4-9H2/t10-,11-,12-,14+/m0/s1 |
| InChI Key | AOOCSKCGZYCEJX-ZJQBRPOHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H20N2O2 |
| Molecular Weight | 260.33 g/mol |
| Exact Mass | 260.152477885 g/mol |
| Topological Polar Surface Area (TPSA) | 43.80 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of (1S,9S,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s9s10r12s-12-hydroxy-715-diazatetracyclo77102701015heptadeca-24-dien-6-one.jpg "2D Structure of (1S,9S,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 91.66% | 98.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.03% | 93.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.53% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.75% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.53% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.42% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.31% | 95.89% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 84.62% | 96.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.04% | 94.45% |
| CHEMBL238 | Q01959 | Dopamine transporter | 83.17% | 95.88% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.96% | 82.69% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.76% | 93.99% |
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.
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| PubChem | 131676079 |
| LOTUS | LTS0154575 |
| wikiData | Q104250346 |