CID 73086050
Internal ID | 43b36232-0cfd-48e4-812b-9f79cfb35910 |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
IUPAC Name | 12-hydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone |
SMILES (Canonical) | CC1C2C3C(C(C(=O)O3)C)OC45C2C(C1=O)(CCC6(O4)CC78C(CC(C6C5=O)O)C(OC7CC(=O)O8)(C)C)C |
SMILES (Isomeric) | CC1C2C3C(C(C(=O)O3)C)OC45C2C(C1=O)(CCC6(O4)CC78C(CC(C6C5=O)O)C(OC7CC(=O)O8)(C)C)C |
InChI | InChI=1S/C29H36O10/c1-11-17-20-19(12(2)24(34)35-20)38-29-21(17)26(5,22(11)32)6-7-27(39-29)10-28-14(8-13(30)18(27)23(29)33)25(3,4)36-15(28)9-16(31)37-28/h11-15,17-21,30H,6-10H2,1-5H3 |
InChI Key | CWFGQJNQESAHDH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H36O10 |
Molecular Weight | 544.60 g/mol |
Exact Mass | 544.23084734 g/mol |
Topological Polar Surface Area (TPSA) | 135.00 Ų |
XlogP | 0.80 |
663176-26-9 |
12-Hydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone |
CID 73086050 |
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 | 99.19% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.74% | 91.11% |
CHEMBL325 | Q13547 | Histone deacetylase 1 | 92.77% | 95.92% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.62% | 96.61% |
CHEMBL299 | P17252 | Protein kinase C alpha | 88.67% | 98.03% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.32% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.46% | 89.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.76% | 97.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.48% | 97.25% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.10% | 95.56% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.36% | 97.14% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.19% | 100.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.72% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.66% | 95.89% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.25% | 94.75% |
CHEMBL2581 | P07339 | Cathepsin D | 80.91% | 98.95% |
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.
Schisandra henryi |
Schisandra lancifolia |
Schisandra propinqua |
Schisandra rubriflora |
PubChem | 73086050 |
LOTUS | LTS0239722 |
wikiData | Q104971215 |