9-Hydroxy-4,4,6a,6b,10,10,12a,14b-octamethylicosahydro-3(2H)-picenone
| Internal ID | 3aab96b9-3941-456e-a461-b42c1e931fe4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 9-hydroxy-4,4,6a,6b,10,10,12a,14b-octamethyl-2,4a,5,6,6a,7,8,8a,9,11,12,13,14,14a-tetradecahydro-1H-picen-3-one |
| SMILES (Canonical) | CC1(CCC2(C(C1O)CCC3(C2CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C)C |
| SMILES (Isomeric) | CC1(CCC2(C(C1O)CCC3(C2CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C)C |
| InChI | InChI=1S/C30H50O2/c1-25(2)17-18-27(5)19(24(25)32)11-15-29(7)21(27)9-10-22-28(6)14-13-23(31)26(3,4)20(28)12-16-30(22,29)8/h19-22,24,32H,9-18H2,1-8H3 |
| InChI Key | ZQDCMFHXUJCDNU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O2 |
| Molecular Weight | 442.70 g/mol |
| Exact Mass | 442.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 8.20 |
| 9-Hydroxy-4,4,6a,6b,10,10,12a,14b-octamethylicosahydro-3(2H)-picenone # |
| 29,30-Dinorgammaceran-3-one, 22-hydroxy-21,21-dimethyl-, (8.alpha.,9.beta.,13.alpha.,14.beta.,17.alpha.,18.beta.,22.alpha.)- |
| 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 | 90.44% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.98% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.20% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.35% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.23% | 94.75% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.06% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.23% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.67% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.64% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.32% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.27% | 98.95% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.62% | 95.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.42% | 92.94% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.75% | 93.04% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.51% | 90.71% |
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.
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| There are no matching plants. |
| PubChem | 610152 |
| LOTUS | LTS0038432 |
| wikiData | Q105381406 |