1,6a,6b,9,9,12a-Hexamethyl-4-oxo-3,5,6,7,8,8a,10,11,12,14,14a,14b-dodecahydropicene-4a-carboxylic acid
| Internal ID | a188b249-69e3-432e-af8a-4044424e03a7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 1,6a,6b,9,9,12a-hexamethyl-4-oxo-3,5,6,7,8,8a,10,11,12,14,14a,14b-dodecahydropicene-4a-carboxylic acid |
| SMILES (Canonical) | CC1=CCC(=O)C2(C1C3CC=C4C5(CCCC(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)O |
| SMILES (Isomeric) | CC1=CCC(=O)C2(C1C3CC=C4C5(CCCC(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)O |
| InChI | InChI=1S/C29H42O3/c1-18-8-11-22(30)29(24(31)32)17-16-27(5)19(23(18)29)9-10-21-26(4)14-7-13-25(2,3)20(26)12-15-28(21,27)6/h8,10,19-20,23H,7,9,11-17H2,1-6H3,(H,31,32) |
| InChI Key | WOUUSXJIFCWUAA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H42O3 |
| Molecular Weight | 438.60 g/mol |
| Exact Mass | 438.31339520 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 7.60 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.70% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.21% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 90.79% | 93.04% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.88% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.88% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.56% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.61% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.82% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.35% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.26% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.39% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.30% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.21% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.17% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.99% | 91.19% |
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.
| Kalanchoe pinnata |
| Salvia regla |
| PubChem | 162898316 |
| LOTUS | LTS0080487 |
| wikiData | Q105305446 |