(15-Ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl)methanol
| Internal ID | 88646946-e7fb-4129-bcd6-683c4e6725f7 |
| Taxonomy | Alkaloids and derivatives > Macroline alkaloids |
| IUPAC Name | (15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl)methanol |
| SMILES (Canonical) | CC=C1CN2C3CC1C(C2CC4=C3N(C5=CC=CC=C45)C)CO |
| SMILES (Isomeric) | CC=C1CN2C3CC1C(C2CC4=C3N(C5=CC=CC=C45)C)CO |
| InChI | InChI=1S/C20H24N2O/c1-3-12-10-22-18-9-15-13-6-4-5-7-17(13)21(2)20(15)19(22)8-14(12)16(18)11-23/h3-7,14,16,18-19,23H,8-11H2,1-2H3 |
| InChI Key | UVWQYWHKTZABSO-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24N2O |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.188863393 g/mol |
| Topological Polar Surface Area (TPSA) | 28.40 Ų |
| XlogP | 2.00 |
| 2912-11-0 |
![2D Structure of (15-Ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl)methanol](https://plantaedb.com/storage/docs/compounds/2023/11/7c9b6e50-86de-11ee-90ac-6bb50c35f054.jpg "2D Structure of (15-Ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl)methanol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.19% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.08% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.37% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.91% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.71% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.31% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.17% | 93.99% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 89.73% | 95.83% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.58% | 89.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 85.98% | 96.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.33% | 91.11% |
| CHEMBL228 | P31645 | Serotonin transporter | 85.23% | 95.51% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.49% | 98.59% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.39% | 97.09% |
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.
| Alstonia angustifolia |
| Alstonia macrophylla |
| Carthamus tinctorius |
| Tabernaemontana hystrix |
| PubChem | 5087854 |
| LOTUS | LTS0082050 |
| wikiData | Q105007994 |