Nervonin I
| Internal ID | f202a54b-9c97-4a07-893a-9f19d2c5da78 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | [(1S,2R,3R,4R,6S,8S,9R,10S,11S,13S,15R)-2-acetyloxy-3,6,8,15-tetrahydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H36O8/c1-10-13-7-14(31-11(2)25)18-23(6)16(28)8-15(27)22(4,5)19(23)17(29)21(32-12(3)26)24(18,9-13)20(10)30/h13-21,27-30H,1,7-9H2,2-6H3/t13-,14+,15+,16+,17-,18+,19-,20-,21+,23+,24+/m1/s1 |
| InChI Key | BFHFKHSUQILWLL-XGNFGCHASA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C24H36O8 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 0.60 |
| ((1S,2R,3R,4R,6S,8S,9R,10S,11S,13S,15R)-2-acetyloxy-3,6,8,15-tetrahydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo(11.2.1.01,10.04,9)hexadecanyl) acetate |
| [(1S,2R,3R,4R,6S,8S,9R,10S,11S,13S,15R)-2-acetyloxy-3,6,8,15-tetrahydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate |
| RefChem:165518 |
| CHEMBL466557 |
| 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 | 97.35% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.50% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.88% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.70% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.90% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.47% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.30% | 91.24% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.51% | 82.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.46% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.04% | 98.95% |
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.
| Isodon nervosus |
| PubChem | 24862696 |
| LOTUS | LTS0201962 |
| wikiData | Q104934178 |