Korundamine A
| Internal ID | 401e65f6-5615-415a-a6d7-905a4c14c524 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | (1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol |
| SMILES (Canonical) | CC1CC2=C(C(=CC(=C2C(N1)C)O)O)C3=CC(=C(C4=C3C=C(C=C4OC)C)O)C5=C(C6=C(C=C(C=C6OC)C)C(=C5)C7=C(C=C8CC(N=C(C8=C7OC)C)C)O)O |
| SMILES (Isomeric) | C[C@@H]1CC2=C(C(=CC(=C2[C@H](N1)C)O)O)C3=CC(=C(C4=C3C=C(C=C4OC)C)O)C5=C(C6=C(C=C(C=C6OC)C)C(=C5)C7=C(C=C8C[C@H](N=C(C8=C7OC)C)C)O)O |
| InChI | InChI=1S/C47H48N2O8/c1-20-10-27-29(41-33-15-23(4)49-25(6)40(33)35(51)19-36(41)52)17-31(45(53)43(27)37(12-20)55-7)32-18-30(28-11-21(2)13-38(56-8)44(28)46(32)54)42-34(50)16-26-14-22(3)48-24(5)39(26)47(42)57-9/h10-13,16-19,22-23,25,49-54H,14-15H2,1-9H3/t22-,23-,25-/m1/s1 |
| InChI Key | NYSXYPCUWVSERK-VDKIKQQVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C47H48N2O8 |
| Molecular Weight | 768.90 g/mol |
| Exact Mass | 768.34106649 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | 8.50 |
| CHEMBL47582 |
| (1R,3R)-5-[1,1'-Dihydroxy-4'-((R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydro-isoquinolin-7-yl)-8,8'-dimethoxy-6,6'-dimethyl-[2,2']binaphthalenyl-4-yl]-1,3-dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,8- |
| (1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-6-methyl-2-naphthyl]-5-methoxy-7-methyl-1-naphthyl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol |
| (1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol |
| 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 | 99.16% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.58% | 96.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 96.60% | 96.21% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 96.09% | 91.79% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 95.89% | 95.56% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 95.83% | 95.12% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 95.65% | 96.76% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.11% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.11% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.94% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.66% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.05% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.95% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.65% | 89.00% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 88.40% | 97.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.12% | 98.75% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 87.83% | 91.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 86.88% | 97.53% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.81% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.76% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.97% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.19% | 95.89% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.40% | 92.98% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.27% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.85% | 93.03% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.69% | 93.40% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.84% | 96.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.66% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.60% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.45% | 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.
| Ancistrocladus korupensis |
| PubChem | 479267 |
| LOTUS | LTS0210005 |
| wikiData | Q105187670 |