(4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,4a,5,6,7,8,9,10,11,12,12a,14a-dodecahydro-1H-picene-3,14-dione
| Internal ID | 5ae744a0-cc3c-4c3c-82a7-f1d8cbfd6a58 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,4a,5,6,7,8,9,10,11,12,12a,14a-dodecahydro-1H-picene-3,14-dione |
| SMILES (Canonical) | CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C |
| SMILES (Isomeric) | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C |
| InChI | InChI=1S/C30H46O2/c1-18-9-12-27(5)15-16-29(7)20(24(27)19(18)2)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h17-19,22,24-25H,9-16H2,1-8H3/t18-,19+,22+,24+,25-,27-,28+,29-,30-/m1/s1 |
| InChI Key | LZXVZTSHGYUWRT-YMWLQLAQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O2 |
| Molecular Weight | 438.70 g/mol |
| Exact Mass | 438.349780706 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 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 |
|---|---|---|---|---|
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 97.29% | 94.78% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 95.55% | 85.30% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.56% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.71% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.99% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.90% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.81% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.87% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.47% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.10% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.06% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.91% | 99.23% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.91% | 95.38% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.10% | 93.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.01% | 90.17% |
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.
| Boswellia sacra |
| Canarium zeylanicum |
| PubChem | 14526927 |
| LOTUS | LTS0119195 |
| wikiData | Q105160201 |