Nanolobatin A
| Internal ID | 45c475d4-47a7-4b80-a79e-a3bb0a71e696 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Xeniaphyllane and xenicane diterpenoids |
| IUPAC Name | (E)-5-[(1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-yl]-2-methylpent-2-en-1-ol |
| SMILES (Canonical) | CC(=CCCC1(CC2C1CCC3(C(O3)CCC2=C)C)C)CO |
| SMILES (Isomeric) | C/C(=C\CC[C@]1(C[C@@H]2[C@@H]1CC[C@]3([C@@H](O3)CCC2=C)C)C)/CO |
| InChI | InChI=1S/C20H32O2/c1-14(13-21)6-5-10-19(3)12-16-15(2)7-8-18-20(4,22-18)11-9-17(16)19/h6,16-18,21H,2,5,7-13H2,1,3-4H3/b14-6+/t16-,17-,18-,19-,20-/m0/s1 |
| InChI Key | VCVYZWRQVJYDDM-SBYABAKDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 32.80 Ų |
| XlogP | 4.30 |
| CHEMBL511535 |
| 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 | 94.42% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.39% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.55% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.90% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.07% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.92% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.26% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.35% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.98% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.77% | 98.95% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 81.57% | 99.43% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.55% | 95.38% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.41% | 97.50% |
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.
| There are no matching plants. |
| PubChem | 44566727 |
| LOTUS | LTS0064772 |
| wikiData | Q105283990 |