Ovatine
| Internal ID | 3dc81562-31d1-4769-b493-ed4779680cd5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids > Veatchine-type diterpenoid alkaloids |
| IUPAC Name | (12-methyl-6-methylidene-17-oxa-14-azahexacyclo[10.6.3.15,8.01,11.02,8.014,18]docosan-7-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1C(=C)C2CCC3C1(C2)CCC4C35CCCC4(CN6C5OCC6)C |
| SMILES (Isomeric) | CC(=O)OC1C(=C)C2CCC3C1(C2)CCC4C35CCCC4(CN6C5OCC6)C |
| InChI | InChI=1S/C24H35NO3/c1-15-17-5-6-19-23(13-17,20(15)28-16(2)26)10-7-18-22(3)8-4-9-24(18,19)21-25(14-22)11-12-27-21/h17-21H,1,4-14H2,2-3H3 |
| InChI Key | YHPDTHOCMSACJY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H35NO3 |
| Molecular Weight | 385.50 g/mol |
| Exact Mass | 385.26169398 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 4.20 |
| 68719-14-2 |
| NSC 295655 |
| (12-methyl-6-methylidene-17-oxa-14-azahexacyclo(10.6.3.15,8.01,11.02,8.014,18)docosan-7-yl) acetate |
| (12-methyl-6-methylidene-17-oxa-14-azahexacyclo[10.6.3.15,8.01,11.02,8.014,18]docosan-7-yl) acetate |
| (1R,2R,5R,7R,8R,11R,12R,18R)-12-Methyl-6-methylidene-17-oxa-14-azahexacyclo(10.6.3.1,.0,.0,.0,)docosan-7-yl acetic acid |
| (1R,2R,5R,7R,8R,11R,12R,18R)-12-Methyl-6-methylidene-17-oxa-14-azahexacyclo[10.6.3.1,.0,.0,.0,]docosan-7-yl acetic acid |
| RefChem:168751 |
| 69719-14-2 |
| NSC295655 |
| SCHEMBL31238416 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.33% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.28% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.06% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.70% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.15% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.83% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.39% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.48% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.55% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.45% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.02% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.45% | 96.77% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.30% | 96.38% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.58% | 98.10% |
| CHEMBL5028 | O14672 | ADAM10 | 82.11% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.36% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.35% | 90.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.30% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.97% | 93.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.66% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.15% | 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.
| Garrya lindheimeri |
| PubChem | 431672 |
| LOTUS | LTS0024125 |
| wikiData | Q105348542 |