Ursiniolide A
Internal ID | f4dc2bd7-2e15-41c9-93f5-e12930442ee7 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
IUPAC Name | [(3aR,4R,6E,9S,10E,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate |
SMILES (Canonical) | CC1C(O1)(C)C(=O)OC2CC(=CCC(C(=CC3C2C(=C)C(=O)O3)C)OC(=O)C)C |
SMILES (Isomeric) | C[C@@H]1[C@](O1)(C)C(=O)O[C@@H]2C/C(=C/C[C@@H](/C(=C/[C@H]3[C@@H]2C(=C)C(=O)O3)/C)OC(=O)C)/C |
InChI | InChI=1S/C22H28O7/c1-11-7-8-16(26-15(5)23)12(2)10-18-19(13(3)20(24)27-18)17(9-11)28-21(25)22(6)14(4)29-22/h7,10,14,16-19H,3,8-9H2,1-2,4-6H3/b11-7+,12-10+/t14-,16+,17-,18+,19-,22-/m1/s1 |
InChI Key | XBYFQUZGOAYUQG-RNDOSCADSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H28O7 |
Molecular Weight | 404.50 g/mol |
Exact Mass | 404.18350323 g/mol |
Topological Polar Surface Area (TPSA) | 91.40 Ų |
XlogP | 2.20 |
C09572 |
52677-96-0 |
AC1NQYJU |
[(3aR,4R,6E,9S,10E,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate |
CHEBI:9906 |
Q27108510 |
![2D Structure of Ursiniolide A 2D Structure of Ursiniolide A](https://plantaedb.com/storage/docs/compounds/2023/11/ursiniolide-a-d39c5e6fa0c46dd0e7277b269b6d0b54.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 | 98.01% | 91.11% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.44% | 83.82% |
CHEMBL2581 | P07339 | Cathepsin D | 90.81% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.43% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.61% | 86.33% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.35% | 97.25% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.66% | 99.23% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.35% | 85.14% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.71% | 97.33% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.49% | 93.56% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.59% | 97.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.58% | 95.56% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.88% | 91.19% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.70% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.84% | 96.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.33% | 94.00% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.73% | 91.07% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.69% | 96.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.35% | 90.00% |
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.
Ursinia anthemoides |
Ursinia speciosa |
PubChem | 5281507 |
LOTUS | LTS0041902 |
wikiData | Q27108510 |