Penicieudesmol D
| Internal ID | 8284a1c3-3d40-4cd9-9fc8-80fdcb360003 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (1S,2S,4S,4aR,6S,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,7,8-hexahydro-1H-naphthalene-1,2,4a,6-tetrol |
| SMILES (Canonical) | CC1CC(C(C2(C1(CC(CC2)(C(=C)C)O)O)C)O)O |
| SMILES (Isomeric) | C[C@H]1C[C@@H]([C@H]([C@]2([C@]1(C[C@@](CC2)(C(=C)C)O)O)C)O)O |
| InChI | InChI=1S/C15H26O4/c1-9(2)14(18)6-5-13(4)12(17)11(16)7-10(3)15(13,19)8-14/h10-12,16-19H,1,5-8H2,2-4H3/t10-,11-,12+,13-,14-,15+/m0/s1 |
| InChI Key | WHJXRCKSHGCGRL-RODWMJHOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H26O4 |
| Molecular Weight | 270.36 g/mol |
| Exact Mass | 270.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
| 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 | 94.55% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.43% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.28% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.48% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.62% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.53% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.96% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.88% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.56% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.45% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.74% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.25% | 94.75% |
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.
| Plectranthus punctatus subsp. edulis |
| PubChem | 139590594 |
| LOTUS | LTS0076630 |
| wikiData | Q105006490 |