(15-Hydroxy-5-methyl-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl) 2-(hydroxymethyl)prop-2-enoate
Internal ID | 8ab1c42f-6ff2-4015-a296-ac4bc2a6f326 |
Taxonomy | Organic acids and derivatives > Hydroxy acids and derivatives > Beta hydroxy acids and derivatives |
IUPAC Name | (15-hydroxy-5-methyl-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl) 2-(hydroxymethyl)prop-2-enoate |
SMILES (Canonical) | CC1C2C(CC34C(O3)CCC(=CC2OC1=O)COC4O)OC(=O)C(=C)CO |
SMILES (Isomeric) | CC1C2C(CC34C(O3)CCC(=CC2OC1=O)COC4O)OC(=O)C(=C)CO |
InChI | InChI=1S/C19H24O8/c1-9(7-20)16(21)26-13-6-19-14(27-19)4-3-11(8-24-18(19)23)5-12-15(13)10(2)17(22)25-12/h5,10,12-15,18,20,23H,1,3-4,6-8H2,2H3 |
InChI Key | GVDXNUSJGXJQEQ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H24O8 |
Molecular Weight | 380.40 g/mol |
Exact Mass | 380.14711772 g/mol |
Topological Polar Surface Area (TPSA) | 115.00 Ų |
XlogP | -0.20 |
There are no found synonyms. |
![2D Structure of (15-Hydroxy-5-methyl-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl) 2-(hydroxymethyl)prop-2-enoate 2D Structure of (15-Hydroxy-5-methyl-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl) 2-(hydroxymethyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/e86400b0-85fd-11ee-8d25-9b86aaccb577.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.68% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.74% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 87.50% | 98.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.25% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.96% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.80% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.68% | 95.56% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.59% | 91.19% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.32% | 99.23% |
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.
Gymnanthemum amygdalinum |
PubChem | 162932202 |
LOTUS | LTS0088847 |
wikiData | Q105021076 |