[(3S,4aR,6aR,6aR,6bR,8aR,11R,12S,12aR,14aR,14bR)-11-formyl-4,4,6a,6b,8a,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-3-yl] acetate
| Internal ID | ef96538f-c452-4e1a-9bef-226e1b5bb5e7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(3S,4aR,6aR,6aR,6bR,8aR,11R,12S,12aR,14aR,14bR)-11-formyl-4,4,6a,6b,8a,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-3-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H52O3/c1-20-22(19-33)11-14-29(5)17-18-31(7)23(27(20)29)9-10-25-30(6)15-13-26(35-21(2)34)28(3,4)24(30)12-16-32(25,31)8/h19-20,22-27H,9-18H2,1-8H3/t20-,22+,23-,24+,25-,26+,27-,29-,30+,31-,32-/m1/s1 |
| InChI Key | FGDWEZONZSARPZ-MJFGSOPHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H52O3 |
| Molecular Weight | 484.80 g/mol |
| Exact Mass | 484.39164552 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 9.00 |
| There are no found synonyms. |
![2D Structure of [(3S,4aR,6aR,6aR,6bR,8aR,11R,12S,12aR,14aR,14bR)-11-formyl-4,4,6a,6b,8a,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/79050220-8615-11ee-9a52-c30dfedac356.jpg "2D Structure of [(3S,4aR,6aR,6aR,6bR,8aR,11R,12S,12aR,14aR,14bR)-11-formyl-4,4,6a,6b,8a,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-3-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.21% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.62% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.26% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.21% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.50% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.13% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.82% | 100.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.16% | 95.92% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.37% | 93.04% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.42% | 93.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.75% | 95.58% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 81.52% | 97.53% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.05% | 97.25% |
| CHEMBL5028 | O14672 | ADAM10 | 81.03% | 97.50% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.86% | 98.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.78% | 95.89% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.64% | 99.18% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.38% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.16% | 100.00% |
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.
| Ixeris chinensis |
| PubChem | 163046235 |
| LOTUS | LTS0130550 |
| wikiData | Q104994848 |