(1S,3S)-5-[4-hydroxy-3-[1-hydroxy-4-[(1S,3R)-6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-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
| Internal ID | 351adb96-1fff-4e42-af3c-5a330d1431e9 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | (1S,3S)-5-[4-hydroxy-3-[1-hydroxy-4-[(1S,3R)-6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-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(NC(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@H](C8=C(C=C7O)OC)C)C)O |
| InChI | InChI=1S/C47H50N2O8/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/h10-13,16-19,22-25,48-54H,14-15H2,1-9H3/t22-,23+,24-,25-/m0/s1 |
| InChI Key | ZWXPIGTZTDZJFU-NDBXHCKUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C47H50N2O8 |
| Molecular Weight | 770.90 g/mol |
| Exact Mass | 770.35671656 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | 8.60 |
| There are no found synonyms. |
![2D Structure of (1S,3S)-5-[4-hydroxy-3-[1-hydroxy-4-[(1S,3R)-6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-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](https://plantaedb.com/storage/docs/compounds/2023/11/c0214980-86f0-11ee-82a2-d187bac62b2a.jpg "2D Structure of (1S,3S)-5-[4-hydroxy-3-[1-hydroxy-4-[(1S,3R)-6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-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")
| 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 | 99.40% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.52% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.01% | 92.94% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 93.85% | 91.79% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.39% | 91.49% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 92.43% | 95.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.15% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.14% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.92% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.84% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.61% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.28% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.05% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.85% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.49% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.29% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.27% | 93.03% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.89% | 95.12% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.98% | 97.09% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.75% | 88.48% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.08% | 99.15% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.02% | 91.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.74% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.70% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.71% | 90.24% |
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 | 163032469 |
| LOTUS | LTS0076781 |
| wikiData | Q105385293 |