Thaliadine
| Internal ID | 18864f4b-b59b-496b-ac9f-6ad9aa4dab8f |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 2-[[(6aS)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4,5-dimethoxybenzaldehyde |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=CC(=C(C=C5C=O)OC)OC |
| SMILES (Isomeric) | CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=CC(=C(C=C5C=O)OC)OC |
| InChI | InChI=1S/C30H33NO8/c1-31-9-8-18-26-20(31)10-16-11-25(39-21-14-24(35-4)22(33-2)12-17(21)15-32)23(34-3)13-19(16)27(26)29(37-6)30(38-7)28(18)36-5/h11-15,20H,8-10H2,1-7H3/t20-/m0/s1 |
| InChI Key | CTIIMTXWHVNAII-FQEVSTJZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H33NO8 |
| Molecular Weight | 535.60 g/mol |
| Exact Mass | 535.22061701 g/mol |
| Topological Polar Surface Area (TPSA) | 84.90 Ų |
| XlogP | 4.30 |
| 3-Demethoxyhernandaline |
| 67510-96-7 |
| Benzaldehyde, 4,5-dimethoxy-2-((5,6,6a,7-tetrahydro-1,2,3,10-tetramethoxy-6-methyl-4H-dibenzo(de,g)quinolin-9-yl)oxy)-, (S)- |
| DTXSID60217854 |
| 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 | 98.78% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 97.33% | 95.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.01% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.86% | 93.40% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.05% | 91.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 93.30% | 98.11% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 92.54% | 95.12% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.16% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.28% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.17% | 86.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.87% | 91.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.39% | 98.75% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 87.34% | 83.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.97% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.85% | 89.50% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 86.30% | 92.38% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 85.59% | 90.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.37% | 89.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.69% | 82.38% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.07% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.73% | 95.89% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 82.68% | 96.86% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.25% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.44% | 99.17% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.46% | 95.53% |
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 minus |
| PubChem | 5321903 |
| LOTUS | LTS0062998 |
| wikiData | Q83094544 |