Eremopetasinorol
Internal ID | ea5648f3-865f-42e4-a55e-887c2ec5a721 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives |
IUPAC Name | 1-(5-hydroxy-3a,4-dimethyl-1,4,5,6,7,7a-hexahydroinden-2-yl)ethanone |
SMILES (Canonical) | CC1C(CCC2C1(C=C(C2)C(=O)C)C)O |
SMILES (Isomeric) | CC1C(CCC2C1(C=C(C2)C(=O)C)C)O |
InChI | InChI=1S/C13H20O2/c1-8-12(15)5-4-11-6-10(9(2)14)7-13(8,11)3/h7-8,11-12,15H,4-6H2,1-3H3 |
InChI Key | GBUDXEBRIWMUIF-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C13H20O2 |
Molecular Weight | 208.30 g/mol |
Exact Mass | 208.146329876 g/mol |
Topological Polar Surface Area (TPSA) | 37.30 Ų |
XlogP | 2.00 |
CHEBI:168343 |
1-(5-hydroxy-3a,4-dimethyl-1,4,5,6,7,7a-hexahydroinden-2-yl)ethanone |
![2D Structure of Eremopetasinorol 2D Structure of Eremopetasinorol](https://plantaedb.com/storage/docs/compounds/2023/11/eremopetasinorol.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 | 96.48% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.96% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 86.41% | 98.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.32% | 91.19% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.51% | 92.94% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.94% | 100.00% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.46% | 85.30% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.66% | 97.09% |
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.
Ligularia muliensis |
Petasites japonicus |
PubChem | 131750892 |
LOTUS | LTS0166392 |
wikiData | Q105006089 |