Luzonial B
Internal ID | f72b94af-c2bf-4864-bffd-f9650d7aacc2 |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
IUPAC Name | [(3S,3aS,4S,6S,6aS)-3,6a-dihydroxy-4-(3-oxoprop-1-en-2-yl)-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | C=C(C=O)C1CC(C2(C1C(OC2)O)O)OC(=O)C=CC3=CC=C(C=C3)O |
SMILES (Isomeric) | C=C(C=O)[C@H]1C[C@@H]([C@@]2([C@H]1[C@H](OC2)O)O)OC(=O)/C=C\C3=CC=C(C=C3)O |
InChI | InChI=1S/C19H20O7/c1-11(9-20)14-8-15(19(24)10-25-18(23)17(14)19)26-16(22)7-4-12-2-5-13(21)6-3-12/h2-7,9,14-15,17-18,21,23-24H,1,8,10H2/b7-4-/t14-,15+,17-,18+,19+/m1/s1 |
InChI Key | HJTBDPQCVMXWMZ-FESMDYCJSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C19H20O7 |
Molecular Weight | 360.40 g/mol |
Exact Mass | 360.12090297 g/mol |
Topological Polar Surface Area (TPSA) | 113.00 Ų |
XlogP | 0.80 |
(1S,3aS,4S,6S,6aS)-1,3a-dihydroxy-6-(3-oxoprop-1-en-2-yl)hexahydro-1H-cyclopenta[c]furan-4-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate |
CHEBI:66599 |
Q27135214 |
[(3S,3aS,4S,6S,6aS)-3,6a-dihydroxy-4-(3-oxoprop-1-en-2-yl)-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate |
![2D Structure of Luzonial B 2D Structure of Luzonial B](https://plantaedb.com/storage/docs/compounds/2023/11/luzonial-b.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% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.93% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.85% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.47% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.94% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.70% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.16% | 89.00% |
CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 88.58% | 89.67% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.80% | 92.94% |
CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 86.00% | 94.97% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.73% | 91.19% |
CHEMBL3194 | P02766 | Transthyretin | 83.42% | 90.71% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.53% | 90.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 82.50% | 91.49% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.06% | 97.28% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.37% | 85.00% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.23% | 91.07% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.09% | 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.
Viburnum luzonicum |
PubChem | 9548910 |
LOTUS | LTS0114448 |
wikiData | Q27135214 |