Hypocriol A
| Internal ID | 6ec498ad-2f83-4cf0-a957-ee75b2f417a3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1R,2R,3R,4R,7R,8S,10R,11R)-2,11-dihydroxy-4,6,6,10-tetramethyl-3-[[(4S,7R)-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-7-yl]oxy]-8-tricyclo[5.3.1.04,11]undecanyl] acetate |
| SMILES (Canonical) | CC1CC(C2C(CC3(C2(C1C(C3OC4C5=C(C=CC6=C5C(CC6(C)C)(CO4)C)C)O)O)C)(C)C)OC(=O)C |
| SMILES (Isomeric) | C[C@@H]1C[C@@H]([C@@H]2[C@@]3([C@H]1[C@H]([C@@H]([C@]3(CC2(C)C)C)O[C@@H]4C5=C(C=CC6=C5[C@](CC6(C)C)(CO4)C)C)O)O)OC(=O)C |
| InChI | InChI=1S/C32H46O6/c1-16-10-11-19-23-21(16)27(36-15-30(23,8)13-28(19,4)5)38-26-24(34)22-17(2)12-20(37-18(3)33)25-29(6,7)14-31(26,9)32(22,25)35/h10-11,17,20,22,24-27,34-35H,12-15H2,1-9H3/t17-,20+,22-,24-,25+,26+,27-,30-,31-,32-/m1/s1 |
| InChI Key | QCDJKEPZRJXPPU-GVTXZQFVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H46O6 |
| Molecular Weight | 526.70 g/mol |
| Exact Mass | 526.32943918 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 5.30 |
| CHEMBL3896251 |
| 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 | 97.58% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.16% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.68% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.59% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.97% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.02% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.73% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.07% | 89.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.65% | 90.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.39% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.86% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.71% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.49% | 91.19% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 85.13% | 96.39% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.37% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.01% | 97.79% |
| CHEMBL5028 | O14672 | ADAM10 | 83.51% | 97.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.54% | 91.24% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.02% | 98.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.12% | 91.07% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.25% | 92.94% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.16% | 93.03% |
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 | 132525302 |
| LOTUS | LTS0122426 |
| wikiData | Q105218161 |