O-methylisopiline
Internal ID | a48dd3df-ee9f-492b-9fc7-b812d4468bf1 |
Taxonomy | Alkaloids and derivatives > Aporphines |
IUPAC Name | (6aR)-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
SMILES (Canonical) | COC1=C(C(=C2C3=CC=CC=C3CC4C2=C1CCN4)OC)OC |
SMILES (Isomeric) | COC1=C(C(=C2C3=CC=CC=C3C[C@@H]4C2=C1CCN4)OC)OC |
InChI | InChI=1S/C19H21NO3/c1-21-17-13-8-9-20-14-10-11-6-4-5-7-12(11)16(15(13)14)18(22-2)19(17)23-3/h4-7,14,20H,8-10H2,1-3H3/t14-/m1/s1 |
InChI Key | DFSIAHJRDUTPMX-CQSZACIVSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H21NO3 |
Molecular Weight | 311.40 g/mol |
Exact Mass | 311.15214353 g/mol |
Topological Polar Surface Area (TPSA) | 39.70 Ų |
XlogP | 2.90 |
There are no found synonyms. |
![2D Structure of O-methylisopiline 2D Structure of O-methylisopiline](https://plantaedb.com/storage/docs/compounds/2023/11/o-methylisopiline.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 |
---|---|---|---|---|
CHEMBL1951 | P21397 | Monoamine oxidase A | 94.48% | 91.49% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.41% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.18% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 92.52% | 98.95% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 92.01% | 91.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.37% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.04% | 86.33% |
CHEMBL2535 | P11166 | Glucose transporter | 87.37% | 98.75% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.02% | 95.56% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 84.53% | 95.62% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.52% | 97.25% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.20% | 95.89% |
CHEMBL4599 | Q07912 | Tyrosine kinase non-receptor protein 2 | 82.09% | 94.29% |
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.
Greenwayodendron oliveri |
Neostenanthera gabonensis |
PubChem | 14140121 |
LOTUS | LTS0140623 |
wikiData | Q104394564 |