Thalmelatine
Internal ID | 026db244-e327-4c47-aaaf-bd377db5721a |
Taxonomy | Alkaloids and derivatives > Aporphines |
IUPAC Name | (1R)-1-[[4,5-dimethoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)O)OC)OC)OC)OC |
SMILES (Isomeric) | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3OC4=C(C=C5C(=C4)CC6C7=C5C(=C(C=C7CCN6C)OC)OC)OC)OC)OC)O)OC |
InChI | InChI=1S/C40H46N2O8/c1-41-11-9-22-15-32(44-3)30(43)19-26(22)28(41)14-25-18-33(45-4)35(47-6)21-31(25)50-36-17-24-13-29-38-23(10-12-42(29)2)16-37(48-7)40(49-8)39(38)27(24)20-34(36)46-5/h15-21,28-29,43H,9-14H2,1-8H3/t28-,29?/m1/s1 |
InChI Key | XNEFHBQMDWILRU-FICMROCWSA-N |
Popularity | 0 references in papers |
Molecular Formula | C40H46N2O8 |
Molecular Weight | 682.80 g/mol |
Exact Mass | 682.32541643 g/mol |
Topological Polar Surface Area (TPSA) | 91.30 Ų |
XlogP | 6.30 |
There are no found synonyms. |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.47% | 96.09% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 98.49% | 91.79% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.90% | 85.14% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 97.87% | 95.62% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.41% | 91.00% |
CHEMBL2581 | P07339 | Cathepsin D | 94.85% | 98.95% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.62% | 89.62% |
CHEMBL261 | P00915 | Carbonic anhydrase I | 92.22% | 96.76% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.01% | 91.11% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 91.96% | 88.48% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.21% | 91.03% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.63% | 99.17% |
CHEMBL2535 | P11166 | Glucose transporter | 89.43% | 98.75% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.01% | 92.62% |
CHEMBL4208 | P20618 | Proteasome component C5 | 88.85% | 90.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.68% | 92.94% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.35% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.53% | 95.56% |
CHEMBL5747 | Q92793 | CREB-binding protein | 86.82% | 95.12% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.15% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.52% | 94.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.42% | 95.89% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.40% | 93.99% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.97% | 95.17% |
CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.93% | 95.34% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.02% | 93.03% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.21% | 89.50% |
CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.17% | 92.38% |
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.
Thalictrum foetidum |
Thalictrum minus |
Thalictrum revolutum |
PubChem | 133562520 |
LOTUS | LTS0216837 |
wikiData | Q105331589 |