3-[3,4-dihydroxy-2-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]phenyl]-1-(2,4-dihydroxyphenyl)propan-1-one
Internal ID | 1652e247-d1f7-40fe-8f09-e34641542ea1 |
Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones |
IUPAC Name | 3-[3,4-dihydroxy-2-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]phenyl]-1-(2,4-dihydroxyphenyl)propan-1-one |
SMILES (Canonical) | CC(=C)C(CCC(=CCC1=C(C=CC(=C1O)O)CCC(=O)C2=C(C=C(C=C2)O)O)C)O |
SMILES (Isomeric) | CC(=C)[C@@H](CC/C(=C/CC1=C(C=CC(=C1O)O)CCC(=O)C2=C(C=C(C=C2)O)O)/C)O |
InChI | InChI=1S/C25H30O6/c1-15(2)21(27)11-5-16(3)4-9-19-17(7-13-23(29)25(19)31)6-12-22(28)20-10-8-18(26)14-24(20)30/h4,7-8,10,13-14,21,26-27,29-31H,1,5-6,9,11-12H2,2-3H3/b16-4+/t21-/m1/s1 |
InChI Key | RHOHQOPGVUZPEB-MYNVMIGVSA-N |
Popularity | 0 references in papers |
Molecular Formula | C25H30O6 |
Molecular Weight | 426.50 g/mol |
Exact Mass | 426.20423867 g/mol |
Topological Polar Surface Area (TPSA) | 118.00 Ų |
XlogP | 5.40 |
There are no found synonyms. |
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 | 99.35% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.77% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 94.50% | 94.73% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.25% | 96.09% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.39% | 95.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.45% | 94.45% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.36% | 99.17% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.58% | 99.15% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.87% | 93.10% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.62% | 96.12% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.36% | 90.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.24% | 95.56% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.99% | 90.71% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.58% | 86.33% |
CHEMBL2535 | P11166 | Glucose transporter | 81.97% | 98.75% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.76% | 91.19% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.12% | 89.00% |
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.
Artocarpus altilis |
PubChem | 163193216 |
LOTUS | LTS0157761 |
wikiData | Q105236554 |