3-[3-[2,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-4-hydroxyphenyl]-1-(2,4-dihydroxyphenyl)propan-1-one
| Internal ID | 105b1102-2e73-42a1-8764-a345d345401f |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones |
| IUPAC Name | 3-[3-[2,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-4-hydroxyphenyl]-1-(2,4-dihydroxyphenyl)propan-1-one |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C(=C2)C3=C(C=CC(=C3)CCC(=O)C4=C(C=C(C=C4)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C(=C2)C3=C(C=CC(=C3)CCC(=O)C4=C(C=C(C=C4)O)O)O)O)O)O |
| InChI | InChI=1S/C30H24O8/c31-19-6-1-17(2-7-19)3-10-27(35)24-15-23(29(37)16-30(24)38)22-13-18(5-12-26(22)34)4-11-25(33)21-9-8-20(32)14-28(21)36/h1-3,5-10,12-16,31-32,34,36-38H,4,11H2/b10-3+ |
| InChI Key | FAQWOFCQXNXDLT-XCVCLJGOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H24O8 |
| Molecular Weight | 512.50 g/mol |
| Exact Mass | 512.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | 5.90 |
| CHEMBL462035 |
| NSC-720817 |
![2D Structure of 3-[3-[2,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-4-hydroxyphenyl]-1-(2,4-dihydroxyphenyl)propan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/32dc9b50-85ca-11ee-97ff-bb8dd546d7ec.jpg "2D Structure of 3-[3-[2,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-4-hydroxyphenyl]-1-(2,4-dihydroxyphenyl)propan-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.95% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 94.74% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.58% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.52% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.48% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.52% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.98% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.65% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.24% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.02% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.89% | 98.75% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.27% | 96.12% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.96% | 98.35% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.90% | 89.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.87% | 85.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.56% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.16% | 90.71% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.80% | 90.24% |
| CHEMBL2216739 | Q92523 | Carnitine O-palmitoyltransferase 1, muscle isoform | 80.93% | 88.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.10% | 94.73% |
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.
| Searsia laevigata |
| PubChem | 5472702 |
| LOTUS | LTS0069975 |
| wikiData | Q104992396 |