[(1S,5R,6S,9S,11R,14R,15S,18S,21S)-6,10,10,14,15,18,21-heptamethyl-4,22-dioxo-23-oxahexacyclo[19.2.1.01,18.02,15.05,14.06,11]tetracos-2-en-9-yl] acetate
| Internal ID | 72369839-68c0-4f05-9833-70f49aff978c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(1S,5R,6S,9S,11R,14R,15S,18S,21S)-6,10,10,14,15,18,21-heptamethyl-4,22-dioxo-23-oxahexacyclo[19.2.1.01,18.02,15.05,14.06,11]tetracos-2-en-9-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H46O5/c1-19(33)36-23-10-11-29(6)21(26(23,2)3)9-12-31(8)24(29)20(34)17-22-30(31,7)16-15-28(5)14-13-27(4)18-32(22,28)37-25(27)35/h17,21,23-24H,9-16,18H2,1-8H3/t21-,23-,24+,27-,28+,29-,30+,31+,32+/m0/s1 |
| InChI Key | OTZLDBJTGRBCPG-PKHIXLFZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H46O5 |
| Molecular Weight | 510.70 g/mol |
| Exact Mass | 510.33452456 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of [(1S,5R,6S,9S,11R,14R,15S,18S,21S)-6,10,10,14,15,18,21-heptamethyl-4,22-dioxo-23-oxahexacyclo[19.2.1.01,18.02,15.05,14.06,11]tetracos-2-en-9-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/5a9c9060-8533-11ee-aedc-a7b68ff6135f.jpg "2D Structure of [(1S,5R,6S,9S,11R,14R,15S,18S,21S)-6,10,10,14,15,18,21-heptamethyl-4,22-dioxo-23-oxahexacyclo[19.2.1.01,18.02,15.05,14.06,11]tetracos-2-en-9-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.77% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.01% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.42% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.33% | 94.45% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.68% | 94.78% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.65% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.21% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.00% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.92% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.11% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.50% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.27% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.20% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.06% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.00% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.52% | 96.43% |
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.
| There are no matching plants. |
| PubChem | 71677468 |
| LOTUS | LTS0083319 |
| wikiData | Q105199956 |