Michellamine F
| Internal ID | ea65baa0-e70a-4d5c-a304-45114952cf2f |
| 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-5-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=C8CC(N=C(C8=C(C=C7O)OC)C)C)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=C8C[C@H](N=C(C8=C(C=C7O)OC)C)C)O |
| InChI | InChI=1S/C47H48N2O8/c1-20-10-26-28(42-32-14-22(3)48-24(5)40(32)34(50)18-35(42)51)16-30(46(53)44(26)37(12-20)55-7)31-17-29(27-11-21(2)13-38(56-8)45(27)47(31)54)43-33-15-23(4)49-25(6)41(33)39(57-9)19-36(43)52/h10-13,16-19,22-24,48,50-54H,14-15H2,1-9H3/t22-,23-,24-/m1/s1 |
| InChI Key | VSDWMCJBOALEDE-WXFUMESZSA-N |
| Popularity | 1 reference 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 |
| 191539-54-5 |
| (1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl]-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol |
| 5,5'-(1,1'-Dihydroxy-8-8'-dimethoxy-6,6'-dimethyl(2,2'-binaphthalene)-4,4'-diyl)(3,4-dihydro-8-methoxy-1,3-dimethyl-6-isoquinolinol),(1,2,3,4-tetrahydro-1,3-dimethyl-6,8-isoquinolinediol),(3R,5R,1'R,3'R,5'S) |
| 5,5'-(1,1'-Dihydroxy-8-8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalene]-4,4'-diyl)[3,4-dihydro-8-methoxy-1,3-dimethyl-6-isoquinolinol],[1,2,3,4-tetrahydro-1,3-dimethyl-6,8-isoquinolinediol],(3R,5R,1'R,3'R,5'S) |
| CHEMBL501944 |
| NSC692906 |
| NSC-692906 |
| (1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl]-8-methoxy-6-methyl-2-naphthyl]-5-methoxy-7-methyl-1-naphthyl]-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 | 99.09% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.03% | 96.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 95.80% | 96.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.51% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.42% | 92.94% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 95.23% | 91.79% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 94.50% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.71% | 94.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 92.31% | 95.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.15% | 95.56% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 91.58% | 97.31% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.12% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.64% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.27% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.11% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.10% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.88% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.53% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.37% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.31% | 95.89% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 85.70% | 97.53% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 85.20% | 85.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.80% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.43% | 99.17% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 82.58% | 97.03% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.25% | 91.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.73% | 99.23% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.72% | 93.31% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.03% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.39% | 94.80% |
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 | 392428 |
| LOTUS | LTS0191297 |
| wikiData | Q105292156 |