O-Methylismine
| Internal ID | aefd6ac5-0de1-498b-acdf-f800926a6beb |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Phenanthridine- and phenanthridone-type amaryllidaceae alkaloids |
| IUPAC Name | 2-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]-N-methylaniline |
| SMILES (Canonical) | CNC1=CC=CC=C1C2=CC3=C(C=C2COC)OCO3 |
| SMILES (Isomeric) | CNC1=CC=CC=C1C2=CC3=C(C=C2COC)OCO3 |
| InChI | InChI=1S/C16H17NO3/c1-17-14-6-4-3-5-12(14)13-8-16-15(19-10-20-16)7-11(13)9-18-2/h3-8,17H,9-10H2,1-2H3 |
| InChI Key | CJBLPFFWXVRSRM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H17NO3 |
| Molecular Weight | 271.31 g/mol |
| Exact Mass | 271.12084340 g/mol |
| Topological Polar Surface Area (TPSA) | 39.70 Ų |
| XlogP | 3.00 |
| 2-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]-N-methylaniline |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.75% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.11% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.26% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.13% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.80% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.12% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.82% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.01% | 94.80% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.95% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.86% | 99.17% |
| CHEMBL4179 | P45984 | c-Jun N-terminal kinase 2 | 83.47% | 90.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.77% | 82.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.60% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.16% | 89.62% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.03% | 95.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.91% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.41% | 96.00% |
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.
| Hippeastrum vittatum |
| PubChem | 10912617 |
| LOTUS | LTS0199555 |
| wikiData | Q104960802 |