ethyl 4-[(6aS)-1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]-4-oxobutanoate
Internal ID | a3da13df-a99c-4dec-96e8-5bb087a677c0 |
Taxonomy | Alkaloids and derivatives > Aporphines |
IUPAC Name | ethyl 4-[(6aS)-1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]-4-oxobutanoate |
SMILES (Canonical) | CCOC(=O)CCC(=O)N1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC |
SMILES (Isomeric) | CCOC(=O)CCC(=O)N1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC |
InChI | InChI=1S/C26H31NO7/c1-6-34-23(29)8-7-22(28)27-10-9-15-12-21(32-4)26(33-5)25-17-14-20(31-3)19(30-2)13-16(17)11-18(27)24(15)25/h12-14,18H,6-11H2,1-5H3/t18-/m0/s1 |
InChI Key | RJNRKFKWOYITQM-SFHVURJKSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H31NO7 |
Molecular Weight | 469.50 g/mol |
Exact Mass | 469.21005233 g/mol |
Topological Polar Surface Area (TPSA) | 83.50 Ų |
XlogP | 3.00 |
There are no found synonyms. |
![2D Structure of ethyl 4-[(6aS)-1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]-4-oxobutanoate 2D Structure of ethyl 4-[(6aS)-1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]-4-oxobutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/de47afa0-8600-11ee-aecb-a3d8c99a047c.jpg)
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 | 99.59% | 96.09% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.56% | 83.82% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.52% | 99.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.18% | 86.33% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.52% | 92.94% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.09% | 97.21% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 91.93% | 95.62% |
CHEMBL2581 | P07339 | Cathepsin D | 89.27% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.12% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.84% | 89.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.81% | 95.89% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.26% | 96.95% |
CHEMBL2535 | P11166 | Glucose transporter | 87.07% | 98.75% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.91% | 85.14% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.80% | 91.19% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.72% | 97.09% |
CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 83.71% | 94.05% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.54% | 90.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.42% | 90.71% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.29% | 91.79% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.03% | 91.00% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.89% | 93.03% |
CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.16% | 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.
Corydalis turtschaninovii |
PubChem | 49871019 |
LOTUS | LTS0072362 |
wikiData | Q105237624 |