[(3S,4aR,6aR,6bS,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-yl] formate
| Internal ID | 2d669786-de71-46b3-91e5-dd404dff4fb5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(3S,4aR,6aR,6bS,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-yl] formate |
| SMILES (Canonical) | CC1(CCC2(CCC3(C(=C2C1)CCC4C3(CCC5C4(CCC(C5(C)C)OC=O)C)C)C)C)C |
| SMILES (Isomeric) | C[C@@]12CC[C@@]3(C(=C1CC(CC2)(C)C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC=O)C)C)C |
| InChI | InChI=1S/C31H50O2/c1-26(2)15-16-28(5)17-18-30(7)21(22(28)19-26)9-10-24-29(6)13-12-25(33-20-32)27(3,4)23(29)11-14-31(24,30)8/h20,23-25H,9-19H2,1-8H3/t23-,24+,25-,28+,29-,30+,31+/m0/s1 |
| InChI Key | RHDDBEBMDDUIAT-ZXLWQATQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H50O2 |
| Molecular Weight | 454.70 g/mol |
| Exact Mass | 454.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 9.40 |
| There are no found synonyms. |
![2D Structure of [(3S,4aR,6aR,6bS,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-yl] formate](https://plantaedb.com/storage/docs/compounds/2023/11/c52cd510-8619-11ee-bda9-ebb020ecdea5.jpg "2D Structure of [(3S,4aR,6aR,6bS,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-yl] formate")
| 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 | 91.63% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 90.63% | 92.97% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.57% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.04% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.96% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.63% | 91.11% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.98% | 91.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.01% | 95.89% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 84.70% | 89.44% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.31% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.84% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.70% | 97.09% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.30% | 92.98% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.74% | 98.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.31% | 96.43% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.64% | 94.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.31% | 93.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.30% | 92.62% |
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.
| Euphorbia maculata |
| PubChem | 162873303 |
| LOTUS | LTS0202831 |
| wikiData | Q105236293 |