(2S,3R,4R,5R,6S)-2-[[(6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-yl]oxy]-6-methyloxane-3,4,5-triol
| Internal ID | 425b222c-5f6d-4abc-8771-2198a050eaeb |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[[(6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-yl]oxy]-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(C3=C4C(CC5=CC=CC=C53)N(CCC4=C2)C)OC)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C3=C4[C@@H](CC5=CC=CC=C53)N(CCC4=C2)C)OC)O)O)O |
| InChI | InChI=1S/C24H29NO6/c1-12-20(26)21(27)22(28)24(30-12)31-17-11-14-8-9-25(2)16-10-13-6-4-5-7-15(13)19(18(14)16)23(17)29-3/h4-7,11-12,16,20-22,24,26-28H,8-10H2,1-3H3/t12-,16+,20-,21+,22+,24-/m0/s1 |
| InChI Key | ZVOPMNLBCODDIN-DHPFMVBJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H29NO6 |
| Molecular Weight | 427.50 g/mol |
| Exact Mass | 427.19948764 g/mol |
| Topological Polar Surface Area (TPSA) | 91.60 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4R,5R,6S)-2-[[(6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-yl]oxy]-6-methyloxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/147aa320-875f-11ee-b4de-a3d485707137.jpg "2D Structure of (2S,3R,4R,5R,6S)-2-[[(6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-yl]oxy]-6-methyloxane-3,4,5-triol")
| 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 | 99.12% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.84% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.20% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.48% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.86% | 86.33% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.57% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.74% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.87% | 95.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.65% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.86% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.79% | 98.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.06% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.78% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.31% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.57% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.58% | 99.17% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.30% | 82.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.01% | 97.14% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 80.64% | 97.31% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.42% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 162970984 |
| LOTUS | LTS0073409 |
| wikiData | Q105384491 |