(1S,9S,10R,12R)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
| Internal ID | 455828b9-cc03-4c5a-b152-a82ff4593615 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Anagyrine-type alkaloids |
| IUPAC Name | (1S,9S,10R,12R)-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-CIQGVGRVSA-N |
| Popularity | 0 references 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,12R)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s9s10r12r-12-hydroxy-715-diazatetracyclo77102701015heptadeca-24-dien-6-one.jpg "2D Structure of (1S,9S,10R,12R)-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.
To see more specific details click the taxa you are interested in.
| Anagyris foetida |
| Petteria ramentacea |
| Sophora alopecuroides |
| Sophora macrocarpa |
| PubChem | 12299977 |
| LOTUS | LTS0130042 |
| wikiData | Q104915821 |