Ketohakonanol
| Internal ID | f2403605-5542-4e0e-bc38-af91c2b0dfab |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Acyloins |
| IUPAC Name | 4-hydroxy-4,6a,6b,9,9,12a,14b-heptamethyl-2,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picen-3-one |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC(=O)C5(C)O)C)C)C)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC(=O)C5(C)O)C)C)C)C)C |
| InChI | InChI=1S/C29H48O2/c1-24(2)14-8-15-25(3)19(24)11-17-27(5)20(25)9-10-21-26(4)16-13-23(30)29(7,31)22(26)12-18-28(21,27)6/h19-22,31H,8-18H2,1-7H3 |
| InChI Key | WQSYKNUUKPIYHA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H48O2 |
| Molecular Weight | 428.70 g/mol |
| Exact Mass | 428.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 8.30 |
| 18004-20-1 |
| 4-hydroxy-4,6a,6b,9,9,12a,14b-heptamethyl-2,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picen-3-one |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.28% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.89% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.17% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.87% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.05% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.66% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.67% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.59% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.86% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.50% | 96.38% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.39% | 93.04% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.03% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.70% | 95.89% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.55% | 99.29% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.32% | 92.97% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.64% | 96.09% |
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.
| Adiantum monochlamys |
| Adiantum pedatum |
| PubChem | 90720428 |
| LOTUS | LTS0164357 |
| wikiData | Q105310956 |