17-Hydroxy-11-methyl-6-methylidene-12-oxo-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
Internal ID | c2e43f37-3a33-49cd-8dc6-a657e78a97fc |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
IUPAC Name | 17-hydroxy-11-methyl-6-methylidene-12-oxo-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid |
SMILES (Canonical) | CC12C3C(C45CC(CCC4C3(CC(C1O)OC6C(C(C(C(O6)CO)O)O)O)COC2=O)C(=C)C5)C(=O)O |
SMILES (Isomeric) | CC12C3C(C45CC(CCC4C3(CC(C1O)OC6C(C(C(C(O6)CO)O)O)O)COC2=O)C(=C)C5)C(=O)O |
InChI | InChI=1S/C26H36O11/c1-10-5-25-6-11(10)3-4-14(25)26-7-12(36-22-18(30)17(29)16(28)13(8-27)37-22)20(31)24(2,23(34)35-9-26)19(26)15(25)21(32)33/h11-20,22,27-31H,1,3-9H2,2H3,(H,32,33) |
InChI Key | ALHCXOKPRSAZHE-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H36O11 |
Molecular Weight | 524.60 g/mol |
Exact Mass | 524.22576196 g/mol |
Topological Polar Surface Area (TPSA) | 183.00 Ų |
XlogP | -0.50 |
There are no found synonyms. |
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 | 95.77% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 93.23% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.69% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.46% | 97.09% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.22% | 92.50% |
CHEMBL220 | P22303 | Acetylcholinesterase | 87.73% | 94.45% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.65% | 94.45% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.43% | 97.25% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.31% | 96.77% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.26% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.02% | 85.14% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.34% | 97.33% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 84.22% | 95.93% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.18% | 96.21% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.76% | 96.38% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.18% | 90.17% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.05% | 94.33% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.88% | 97.14% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.47% | 99.17% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.33% | 93.00% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.67% | 95.50% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.42% | 86.33% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.29% | 100.00% |
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.
Ipomoea nil |
PubChem | 163024148 |
LOTUS | LTS0196088 |
wikiData | Q104914121 |