Purpureine
| Internal ID | e817d1ea-7bf0-47d2-998d-b2bb747d16d9 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC |
| InChI | InChI=1S/C22H27NO5/c1-23-8-7-13-18-15(23)9-12-10-16(24-2)17(25-3)11-14(12)19(18)21(27-5)22(28-6)20(13)26-4/h10-11,15H,7-9H2,1-6H3 |
| InChI Key | KMLPLPOAFAPFFE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H27NO5 |
| Molecular Weight | 385.50 g/mol |
| Exact Mass | 385.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 3.30 |
| 19775-47-4 |
| Thalicsimidin |
| Thalicsimidine |
| NSC141547 |
| NSC 141547 |
| 1,2,3,9,10-pentamethoxyaporphine |
| NSC-141547 |
| 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,3,9,10-pentamethoxy-6-methyl-, (S)- |
| 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 | 96.59% | 95.62% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 96.40% | 95.12% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.27% | 91.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.98% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.93% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.85% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.51% | 86.33% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.50% | 91.79% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.46% | 91.03% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 87.56% | 96.86% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.34% | 98.75% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.39% | 82.38% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.59% | 92.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.20% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.12% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.37% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.35% | 95.89% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.19% | 88.48% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.62% | 92.94% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.23% | 89.50% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 82.37% | 94.05% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 81.25% | 89.32% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.72% | 93.31% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 80.42% | 83.14% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.28% | 95.53% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.05% | 96.77% |
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.
| Annona mucosa |
| Annona purpurea |
| Ocotea acutifolia |
| Ocotea mollicella |
| Thalictrum ichangense |
| Thalictrum minus |
| Thalictrum pedunculatum |
| Thalictrum simplex |
| Xylopia parviflora |
| PubChem | 98473 |
| LOTUS | LTS0064076 |
| wikiData | Q104394206 |