(12S)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-7-ol
| Internal ID | 82ead1dc-4ae6-43c4-ae26-3dc4272d5409 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12S)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-7-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H15NO3/c19-15-11-5-6-18-12-7-9-3-1-2-4-10(9)14(13(11)12)16-17(15)21-8-20-16/h1-4,12,18-19H,5-8H2/t12-/m0/s1 |
| InChI Key | CBHABFQDMCRWKQ-LBPRGKRZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H15NO3 |
| Molecular Weight | 281.30 g/mol |
| Exact Mass | 281.10519334 g/mol |
| Topological Polar Surface Area (TPSA) | 50.70 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (12S)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/12s-35-dioxa-11-azapentacyclo1071026082001419icosa-16820141618-hexaen-7-ol.jpg "2D Structure of (12S)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-7-ol")
| 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 | 98.75% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.49% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.09% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.25% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.74% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.99% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 87.04% | 91.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.50% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.19% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.58% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.95% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.11% | 100.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.98% | 95.62% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.39% | 96.39% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.13% | 99.23% |
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.
| Cissampelos glaberrima |
| PubChem | 163014665 |
| LOTUS | LTS0137873 |
| wikiData | Q104952355 |