shizukaol F
| Internal ID | 005f23e9-1564-4fb3-9e81-a526d443bb22 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl (2Z)-2-[(1S,13E,18S,19S,21R,22S,23S,26S,28R,29S,30R,33R,36R)-18,30-dihydroxy-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)CCC(=O)OC1)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)CCC(=O)OC1)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/C40H44O13/c1-16-8-29(43)52-15-39(48)24-11-23(24)37(3)25(39)12-22-20(14-51-28(42)7-6-27(41)50-13-16)36(47)53-40(22)26(37)10-19-18-9-21(18)38(4)31(19)32(40)30(33(44)34(38)45)17(2)35(46)49-5/h8,18,21,23-26,32,34,45,48H,6-7,9-15H2,1-5H3/b16-8+,30-17-/t18-,21-,23-,24+,25-,26+,32+,34+,37+,38+,39+,40+/m1/s1 |
| InChI Key | XOCHXEVAPBOSPH-RCNNXFIWSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C40H44O13 |
| Molecular Weight | 732.80 g/mol |
| Exact Mass | 732.27819145 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 0.30 |
| CHEBI:69786 |
| CHEMBL1813268 |
| Q27138128 |
| 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 | 99.56% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.20% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.87% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.60% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.55% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.15% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.64% | 97.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.02% | 97.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.96% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.40% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.69% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.66% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 86.31% | 97.50% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.61% | 90.93% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.09% | 93.03% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.73% | 97.05% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.94% | 82.69% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.68% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.35% | 91.07% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.99% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.42% | 99.17% |
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.
| Actinidia chinensis var. deliciosa |
| Chloranthus fortunei |
| Chloranthus serratus |
| Chloranthus spicatus |
| Lepidium apetalum |
| PubChem | 56681897 |
| NPASS | NPC241935 |
| ChEMBL | CHEMBL1813268 |
| LOTUS | LTS0150878 |
| wikiData | Q27138128 |