Ambalonine
| Internal ID | 812ff652-2f83-4a45-b58a-1bc3a86877d4 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | (9S)-4-methoxy-9-methyl-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinoline |
| SMILES (Canonical) | CC1C2=C3C(=C(C=C2CCN1)OC)OCO3 |
| SMILES (Isomeric) | C[C@H]1C2=C3C(=C(C=C2CCN1)OC)OCO3 |
| InChI | InChI=1S/C12H15NO3/c1-7-10-8(3-4-13-7)5-9(14-2)11-12(10)16-6-15-11/h5,7,13H,3-4,6H2,1-2H3/t7-/m0/s1 |
| InChI Key | YEGBVDVRKMCCON-ZETCQYMHSA-N |
| Popularity | 40 references in papers |
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.25 g/mol |
| Exact Mass | 221.10519334 g/mol |
| Topological Polar Surface Area (TPSA) | 39.70 Ų |
| XlogP | 1.50 |
| 519-04-0 |
| E29105F32F |
| Ambalonine |
| Anhalonin |
| UNII-E29105F32F |
| EINECS 208-260-9 |
| ANHALONINE [MI] |
| SCHEMBL3124386 |
| DTXSID50966223 |
| 1,3-Dioxolo(4,5-h)isoquinoline, 6,7,8,9-tetrahydro-4-methoxy-9-methyl-, (S)- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 95.17% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.76% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.80% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.74% | 92.94% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 90.21% | 95.55% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.07% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.74% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.73% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.40% | 86.33% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.38% | 82.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.50% | 94.45% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.82% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.63% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.85% | 92.62% |
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.
| Gymnocalycium gibbosum |
| Gymnocalycium monvillei |
| Lophophora williamsii |
| PubChem | 16637831 |
| LOTUS | LTS0154339 |
| wikiData | Q104251820 |