Yaoundamine B
| Internal ID | 10c59432-6347-43a9-a74b-8c44a6645a06 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | 2-[[(3R)-7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-yl]oxy]-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | CC1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C4C=C(C=C(C4=C(C=C3)O)OC)C)OC5C(C(C(C(O5)C)O)O)O |
| SMILES (Isomeric) | C[C@@H]1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C4C=C(C=C(C4=C(C=C3)O)OC)C)OC5C(C(C(C(O5)C)O)O)O |
| InChI | InChI=1S/C30H35NO8/c1-13-9-19-18(7-8-20(32)24(19)21(10-13)36-5)25-22(39-30-28(35)27(34)26(33)16(4)38-30)12-17-11-14(2)31-15(3)23(17)29(25)37-6/h7-10,12,14,16,26-28,30,32-35H,11H2,1-6H3/t14-,16?,26?,27?,28?,30?/m1/s1 |
| InChI Key | XFVYCTDHBOOYMZ-NPGWMJMXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H35NO8 |
| Molecular Weight | 537.60 g/mol |
| Exact Mass | 537.23626707 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 3.20 |
| NSC692908 |
| NSC-692908 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.52% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.37% | 91.49% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 97.74% | 97.31% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 94.59% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.41% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.27% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.12% | 96.09% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 93.89% | 95.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.41% | 95.56% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 92.82% | 97.53% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.90% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.78% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.67% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.23% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.03% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.38% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.09% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.19% | 85.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.86% | 100.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.60% | 95.78% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.41% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.32% | 91.79% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.24% | 82.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.13% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.27% | 99.23% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.03% | 91.00% |
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.
| Ancistrocladus korupensis |
| PubChem | 392430 |
| LOTUS | LTS0190390 |
| wikiData | Q105327330 |