15-deoxybudlein A
Internal ID | f55dee22-4c98-4c79-b148-3476a4902a14 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
IUPAC Name | [(2Z,4R,8R,9R,11R)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate |
SMILES (Canonical) | CC=C(C)C(=O)OC1CC2(C(=O)C=C(O2)C(=CC3C1C(=C)C(=O)O3)C)C |
SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@@H]1C[C@@]2(C(=O)C=C(O2)/C(=C\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)C |
InChI | InChI=1S/C20H22O6/c1-6-10(2)18(22)25-15-9-20(5)16(21)8-13(26-20)11(3)7-14-17(15)12(4)19(23)24-14/h6-8,14-15,17H,4,9H2,1-3,5H3/b10-6-,11-7-/t14-,15-,17+,20-/m1/s1 |
InChI Key | QATUWZPYBIHFFR-JWHLFBEVSA-N |
Popularity | 2 references in papers |
Molecular Formula | C20H22O6 |
Molecular Weight | 358.40 g/mol |
Exact Mass | 358.14163842 g/mol |
Topological Polar Surface Area (TPSA) | 78.90 Ų |
XlogP | 2.40 |
CHEMBL371161 |
PD179332 |
![2D Structure of 15-deoxybudlein A 2D Structure of 15-deoxybudlein A](https://plantaedb.com/storage/docs/compounds/2023/11/15-deoxybudlein-a.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 | 98.34% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.65% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.70% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.91% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.50% | 89.00% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.58% | 90.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.63% | 96.09% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.64% | 92.94% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.32% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.26% | 95.89% |
CHEMBL2581 | P07339 | Cathepsin D | 81.85% | 98.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.27% | 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.
Aldama atacamensis |
Aldama oblongifolia |
Calea divaricata |
Calea lantanoides |
Dendroviguiera sylvatica |
Heliomeris obscura |
Pappobolus stuebelii |
Sclerocarpus sessilifolius |
PubChem | 14314511 |
LOTUS | LTS0175519 |
wikiData | Q104398776 |