10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al
Internal ID | 2754fee2-be84-41de-986c-ff3a28e9fe57 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
IUPAC Name | 8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalene-2-carbaldehyde |
SMILES (Canonical) | CC1CCCC2C1(C=C(C(=O)C2)C=O)C |
SMILES (Isomeric) | CC1CCCC2C1(C=C(C(=O)C2)C=O)C |
InChI | InChI=1S/C13H18O2/c1-9-4-3-5-11-6-12(15)10(8-14)7-13(9,11)2/h7-9,11H,3-6H2,1-2H3 |
InChI Key | QJHOMNLQPDCBJF-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C13H18O2 |
Molecular Weight | 206.28 g/mol |
Exact Mass | 206.130679813 g/mol |
Topological Polar Surface Area (TPSA) | 34.10 Ų |
XlogP | 3.00 |
CHEBI:138757 |
![2D Structure of 10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al 2D Structure of 10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al](https://plantaedb.com/storage/docs/compounds/2023/11/10beta-1213-dinor-8-oxo-6-eremophilen-11-al.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 |
---|---|---|---|---|
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.41% | 95.56% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.80% | 97.05% |
CHEMBL2581 | P07339 | Cathepsin D | 89.45% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.31% | 96.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.56% | 100.00% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.43% | 93.40% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.15% | 97.25% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.47% | 82.69% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.66% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.51% | 97.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.29% | 95.89% |
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 | 85239007 |
LOTUS | LTS0076806 |
wikiData | Q105222680 |