(4,4,6a,8a,11,12,14b-Heptamethyl-1,2,3,4a,5,6,6a,6b,7,8,9,12,12a,13,14,14a-hexadecahydropicen-3-yl) acetate
| Internal ID | ee47ddc7-73b5-46ef-8867-cb0f3f5ae0b3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | (4,4,6a,8a,11,12,14b-heptamethyl-1,2,3,4a,5,6,6a,6b,7,8,9,12,12a,13,14,14a-hexadecahydropicen-3-yl) acetate |
| SMILES (Canonical) | CC1C2C3CCC4C(C3CCC2(CC=C1C)C)(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C |
| SMILES (Isomeric) | CC1C2C3CCC4C(C3CCC2(CC=C1C)C)(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C |
| InChI | InChI=1S/C31H50O2/c1-19-11-15-29(6)16-12-23-22(27(29)20(19)2)9-10-25-30(23,7)17-13-24-28(4,5)26(33-21(3)32)14-18-31(24,25)8/h11,20,22-27H,9-10,12-18H2,1-8H3 |
| InChI Key | ZEXIWGOYGIHKOL-UHFFFAOYSA-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 | 9.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.77% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.03% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.04% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.36% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.99% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.69% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.47% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.94% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.65% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.31% | 97.21% |
| CHEMBL5028 | O14672 | ADAM10 | 82.22% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.92% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.97% | 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.
| Richetia longisperma |
| PubChem | 162927203 |
| LOTUS | LTS0220028 |
| wikiData | Q105373813 |