Lindoldhamine (R,R)
| Internal ID | 00db4f74-2c73-48e1-ab37-33990fbe9429 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (1R)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol |
| SMILES (Canonical) | COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5)OC)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C2[C@H](NCCC2=C1)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5)OC)O)O)O |
| InChI | InChI=1S/C34H36N2O6/c1-40-32-16-22-9-11-35-27(25(22)18-30(32)38)13-20-3-6-24(7-4-20)42-34-15-21(5-8-29(34)37)14-28-26-19-31(39)33(41-2)17-23(26)10-12-36-28/h3-8,15-19,27-28,35-39H,9-14H2,1-2H3/t27-,28-/m1/s1 |
| InChI Key | DUBVXSGAOWUPMY-VSGBNLITSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H36N2O6 |
| Molecular Weight | 568.70 g/mol |
| Exact Mass | 568.25733687 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 5.10 |
| BDBM85440 |
| (1R)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.94% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.69% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.51% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.12% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.08% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.10% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.97% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.92% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.78% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.02% | 95.89% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 88.88% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.76% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.44% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.24% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.99% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.57% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.49% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.22% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.27% | 96.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.89% | 92.94% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.25% | 88.48% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.69% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.45% | 95.93% |
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.
| Alpinia mutica |
| Alpinia officinarum |
| Curcuma comosa |
| Xylopia parviflora |
| PubChem | 10370752 |
| LOTUS | LTS0167516 |
| wikiData | Q105178112 |