[10-acetyloxy-5,17-dihydroxy-16-[3-hydroxy-4-(4-methyl-5-oxo-2H-furan-3-yl)butan-2-yl]-11,15-dimethyl-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-yl] acetate
| Internal ID | 67c3279c-64dc-4c69-8b09-55ecae4655a2 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Bile acids, alcohols and derivatives |
| IUPAC Name | [10-acetyloxy-5,17-dihydroxy-16-[3-hydroxy-4-(4-methyl-5-oxo-2H-furan-3-yl)butan-2-yl]-11,15-dimethyl-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-yl] acetate |
| SMILES (Canonical) | CC1=C(COC1=O)CC(C(C)C2C(CC3C2(C(CC4C3C5C(O5)C6(C4(C(C7C(C6)O7)OC(=O)C)C)O)OC(=O)C)C)O)O |
| SMILES (Isomeric) | CC1=C(COC1=O)CC(C(C)C2C(CC3C2(C(CC4C3C5C(O5)C6(C4(C(C7C(C6)O7)OC(=O)C)C)O)OC(=O)C)C)O)O |
| InChI | InChI=1S/C32H44O11/c1-12-16(11-39-29(12)37)7-19(35)13(2)24-20(36)8-17-23-18(9-22(30(17,24)5)40-14(3)33)31(6)27(41-15(4)34)25-21(42-25)10-32(31,38)28-26(23)43-28/h13,17-28,35-36,38H,7-11H2,1-6H3 |
| InChI Key | XLECXEWCXHZSAY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H44O11 |
| Molecular Weight | 604.70 g/mol |
| Exact Mass | 604.28836222 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of [10-acetyloxy-5,17-dihydroxy-16-[3-hydroxy-4-(4-methyl-5-oxo-2H-furan-3-yl)butan-2-yl]-11,15-dimethyl-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/efeb0ac0-85a5-11ee-b47b-799f1f1c49c5.jpg "2D Structure of [10-acetyloxy-5,17-dihydroxy-16-[3-hydroxy-4-(4-methyl-5-oxo-2H-furan-3-yl)butan-2-yl]-11,15-dimethyl-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.83% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.61% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.49% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.56% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.06% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.57% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.30% | 86.33% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 91.31% | 95.58% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.91% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.85% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.16% | 97.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.81% | 97.79% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.61% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.00% | 91.19% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.83% | 85.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.75% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.57% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.84% | 89.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.42% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.37% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.84% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.83% | 96.77% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.54% | 93.67% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.72% | 97.21% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.53% | 96.47% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.70% | 82.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.43% | 98.75% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.94% | 91.24% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.90% | 97.36% |
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.
| Tacca chantrieri |
| PubChem | 162994492 |
| LOTUS | LTS0072838 |
| wikiData | Q105329919 |