28-Demethyl-beta-amyrone
| Internal ID | 3692edff-55b5-47c2-ade1-1f598d6a38ec |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-one |
| SMILES (Canonical) | CC1(CCC2CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C |
| SMILES (Isomeric) | C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@H]5[C@H]4CC(CC5)(C)C)C)C)(C)C |
| InChI | InChI=1S/C29H46O/c1-25(2)14-10-19-11-16-28(6)21(20(19)18-25)8-9-23-27(5)15-13-24(30)26(3,4)22(27)12-17-29(23,28)7/h8,19-20,22-23H,9-18H2,1-7H3/t19-,20-,22+,23-,27+,28-,29-/m1/s1 |
| InChI Key | QQKXTWZLGUEVGX-DICJWPJSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H46O |
| Molecular Weight | 410.70 g/mol |
| Exact Mass | 410.354866087 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 8.40 |
| 28-demethyl-beta-amyrone |
| 28-demethyl-|A-amyrone |
| (4Ar,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-one |
| SCHEMBL20472964 |
| HY-N7003 |
| AKOS037515060 |
| CS-0027681 |
| D85155 |
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.60% | 97.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.09% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.59% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.56% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.70% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.03% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.58% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.88% | 82.69% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.86% | 95.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.45% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.09% | 99.23% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.69% | 92.98% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.50% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.23% | 98.95% |
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.
| Pistacia lentiscus |
| PubChem | 101616676 |
| LOTUS | LTS0220498 |
| wikiData | Q105225907 |