shizukaol H
| Internal ID | 1f60d421-1aa4-451a-9b43-7d0d935e8ecb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl (2Z)-2-[(1S,9S,13E,18S,19S,21R,22S,23S,26S,28R,29S,30R,33R,36R)-9,18,30-trihydroxy-13,22,29-trimethyl-3,7,10,15,31-pentaoxo-2,6,11,16-tetraoxanonacyclo[16.15.3.125,29.01,23.04,34.019,21.022,36.026,28.033,37]heptatriaconta-4(34),13,25(37)-trien-32-ylidene]propanoate |
| SMILES (Canonical) | CC1=CC(=O)OCC2(C3CC3C4(C2CC5=C(COC(=O)CC(C(=O)OC1)O)C(=O)OC56C4CC7=C8C6C(=C(C)C(=O)OC)C(=O)C(C8(C9C7C9)C)O)C)O |
| SMILES (Isomeric) | C/C/1=C\C(=O)OC[C@@]2([C@H]3C[C@H]3[C@]4([C@H]2CC5=C(COC(=O)C[C@@H](C(=O)OC1)O)C(=O)O[C@]56[C@H]4CC7=C8[C@@H]6/C(=C(\C)/C(=O)OC)/C(=O)[C@@H]([C@]8([C@H]9[C@@H]7C9)C)O)C)O |
| InChI | InChI=1S/C40H44O14/c1-15-6-27(42)53-14-39(49)23-9-22(23)37(3)25(39)10-21-19(13-51-28(43)11-24(41)36(48)52-12-15)35(47)54-40(21)26(37)8-18-17-7-20(17)38(4)30(18)31(40)29(32(44)33(38)45)16(2)34(46)50-5/h6,17,20,22-26,31,33,41,45,49H,7-14H2,1-5H3/b15-6+,29-16-/t17-,20-,22-,23+,24+,25-,26+,31+,33+,37+,38+,39+,40+/m1/s1 |
| InChI Key | PHCXHKSHMYZRPK-WPCIVLODSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C40H44O14 |
| Molecular Weight | 748.80 g/mol |
| Exact Mass | 748.27310607 g/mol |
| Topological Polar Surface Area (TPSA) | 209.00 Ų |
| XlogP | -0.30 |
| CHEBI:69787 |
| CHEMBL1811934 |
| Q27138129 |
| 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 | 99.45% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.53% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.83% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.06% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.43% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.40% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.59% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.15% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.71% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.68% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.66% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.46% | 82.69% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.28% | 97.05% |
| CHEMBL5028 | O14672 | ADAM10 | 85.20% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.15% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.08% | 91.07% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.84% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.95% | 97.21% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.51% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.27% | 97.79% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.36% | 90.93% |
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.
| Chloranthus serratus |
| PubChem | 56659161 |
| NPASS | NPC279478 |
| ChEMBL | CHEMBL1811934 |
| LOTUS | LTS0244123 |
| wikiData | Q27138129 |