Ilicic aldehyde
| Internal ID | ade256ab-0866-4dd1-824f-519e52ce8296 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enal |
| SMILES (Canonical) | CC12CCCC(C1CC(CC2)C(=C)C=O)(C)O |
| SMILES (Isomeric) | C[C@]12CCC[C@@]([C@@H]1C[C@@H](CC2)C(=C)C=O)(C)O |
| InChI | InChI=1S/C15H24O2/c1-11(10-16)12-5-8-14(2)6-4-7-15(3,17)13(14)9-12/h10,12-13,17H,1,4-9H2,2-3H3/t12-,13-,14-,15-/m1/s1 |
| InChI Key | FHPXJWFFZWENFZ-KBUPBQIOSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H24O2 |
| Molecular Weight | 236.35 g/mol |
| Exact Mass | 236.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 3.10 |
| CHEMBL594843 |
| 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 |
|---|---|---|---|---|
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.70% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.59% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.56% | 97.09% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 86.34% | 95.69% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.55% | 96.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.32% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.02% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.80% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.23% | 93.03% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.77% | 91.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.11% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.73% | 100.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.42% | 98.99% |
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.
| Gonospermum fruticosum |
| Linzia glabra |
| PubChem | 46227015 |
| LOTUS | LTS0178091 |
| wikiData | Q104995386 |