(+)-Cocsoline
| Internal ID | 14b66a29-46b4-49cf-9840-29498a705dff |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7)O4)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7)O4)O)OC |
| InChI | InChI=1S/C34H32N2O5/c1-36-12-10-22-17-31(38-2)33-34-32(22)26(36)14-19-3-6-23(7-4-19)39-28-15-20(5-8-27(28)37)13-25-24-18-30(41-34)29(40-33)16-21(24)9-11-35-25/h3-8,15-18,25-26,35,37H,9-14H2,1-2H3 |
| InChI Key | AFGMWONXXNDGGE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H32N2O5 |
| Molecular Weight | 548.60 g/mol |
| Exact Mass | 548.23112213 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 5.50 |
| 54352-70-4 |
| Oxyacanthan-12'-ol, 6',7-epoxy-6-methoxy-2-methyl-, (1'alpha)- |
| SCHEMBL14722288 |
| DTXSID40969445 |
| 6-Methoxy-2-methyl-6',7-epoxyoxyacanthan-12'-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.53% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.27% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.21% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.18% | 93.99% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 94.17% | 95.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.97% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.91% | 85.14% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 92.66% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.60% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.15% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.21% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.89% | 91.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.02% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.11% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.09% | 86.33% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 85.00% | 90.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.56% | 89.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.47% | 89.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.41% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.21% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.82% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.75% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.38% | 99.23% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.41% | 85.00% |
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.
| Achillea micrantha |
| Albertisia delagoensis |
| Albertisia villosa |
| Cocculus pendulus |
| Daphnandra apatela |
| PubChem | 3085062 |
| LOTUS | LTS0058448 |
| wikiData | Q82952459 |