16-Ethylidene-7-hydroxy-5,9-dimethyl-17-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,12,18-trioxatricyclo[13.4.0.06,10]nonadec-1(19)-ene-2,13-dione
Internal ID | 5ad1b2f3-6b3d-4294-89dc-7f22239394ff |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
IUPAC Name | 16-ethylidene-7-hydroxy-5,9-dimethyl-17-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,12,18-trioxatricyclo[13.4.0.06,10]nonadec-1(19)-ene-2,13-dione |
SMILES (Canonical) | CC=C1C2CC(=O)OCC3C(CC(C3C(COC(=O)C2=COC1OC4C(C(C(C(O4)CO)O)O)O)C)O)C |
SMILES (Isomeric) | CC=C1C2CC(=O)OCC3C(CC(C3C(COC(=O)C2=COC1OC4C(C(C(C(O4)CO)O)O)O)C)O)C |
InChI | InChI=1S/C26H38O12/c1-4-13-14-6-19(29)34-9-15-11(2)5-17(28)20(15)12(3)8-35-24(33)16(14)10-36-25(13)38-26-23(32)22(31)21(30)18(7-27)37-26/h4,10-12,14-15,17-18,20-23,25-28,30-32H,5-9H2,1-3H3 |
InChI Key | AJSGWOXJRVVHLI-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H38O12 |
Molecular Weight | 542.60 g/mol |
Exact Mass | 542.23632664 g/mol |
Topological Polar Surface Area (TPSA) | 181.00 Ų |
XlogP | -0.30 |
There are no found synonyms. |
![2D Structure of 16-Ethylidene-7-hydroxy-5,9-dimethyl-17-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,12,18-trioxatricyclo[13.4.0.06,10]nonadec-1(19)-ene-2,13-dione 2D Structure of 16-Ethylidene-7-hydroxy-5,9-dimethyl-17-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,12,18-trioxatricyclo[13.4.0.06,10]nonadec-1(19)-ene-2,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/e47c9c30-8558-11ee-8c42-d5b9d2aff54f.jpg)
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 96.99% | 98.95% |
CHEMBL220 | P22303 | Acetylcholinesterase | 96.56% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.58% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.53% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.44% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.05% | 97.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.63% | 85.14% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.78% | 86.92% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.73% | 95.56% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.44% | 83.82% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.57% | 96.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.34% | 89.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 87.01% | 95.93% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.60% | 100.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.84% | 99.17% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.79% | 95.83% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.31% | 89.34% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.11% | 94.73% |
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.
Jasminum nudiflorum |
PubChem | 75061238 |
LOTUS | LTS0130721 |
wikiData | Q104913362 |