12-Ethoxy-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-6,8-diol
Internal ID | be0cfa3a-073c-4fff-9a46-e1ee5bd4af59 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Villanovane, atisane, trachylobane or helvifulvane diterpenoids > Atisane diterpenoids |
IUPAC Name | 12-ethoxy-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-6,8-diol |
SMILES (Canonical) | CCOC1C2(CCCC3(C2CC(C45C3CC(CC4)C(=C)C5O)O)C=N1)C |
SMILES (Isomeric) | CCOC1C2(CCCC3(C2CC(C45C3CC(CC4)C(=C)C5O)O)C=N1)C |
InChI | InChI=1S/C22H33NO3/c1-4-26-19-20(3)7-5-8-21(12-23-19)15(20)11-17(24)22-9-6-14(10-16(21)22)13(2)18(22)25/h12,14-19,24-25H,2,4-11H2,1,3H3 |
InChI Key | XOHJLHIMWCCTNI-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H33NO3 |
Molecular Weight | 359.50 g/mol |
Exact Mass | 359.24604391 g/mol |
Topological Polar Surface Area (TPSA) | 62.00 Ų |
XlogP | 2.00 |
There are no found synonyms. |
![2D Structure of 12-Ethoxy-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-6,8-diol 2D Structure of 12-Ethoxy-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-6,8-diol](https://plantaedb.com/storage/docs/compounds/2023/11/12-ethoxy-11-methyl-5-methylidene-13-azapentacyclo9332470110027nonadec-13-ene-68-diol.jpg)
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 | 94.34% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.47% | 97.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.51% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.86% | 91.11% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.96% | 94.75% |
CHEMBL2581 | P07339 | Cathepsin D | 87.69% | 98.95% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.06% | 92.94% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.69% | 100.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 83.75% | 95.93% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.62% | 90.17% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.11% | 82.69% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.80% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.57% | 95.89% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.69% | 92.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.32% | 94.45% |
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.
Delphinium brunonianum |
PubChem | 73657078 |
LOTUS | LTS0180735 |
wikiData | Q105337753 |