[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(3-phenylpropanoyloxy)phenyl] (3S)-3-hydroxybutanoate
| Internal ID | 6d8d9c2f-b77c-4ba6-96eb-8f5d261ebe7c |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls |
| IUPAC Name | [2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(3-phenylpropanoyloxy)phenyl] (3S)-3-hydroxybutanoate |
| SMILES (Canonical) | CC(CC(=O)OC1=C(C(=C(C(=C1O)C2=CC=C(C=C2)O)OC(=O)CCC3=CC=CC=C3)O)C4=CC=C(C=C4)O)O |
| SMILES (Isomeric) | C[C@@H](CC(=O)OC1=C(C(=C(C(=C1O)C2=CC=C(C=C2)O)OC(=O)CCC3=CC=CC=C3)O)C4=CC=C(C=C4)O)O |
| InChI | InChI=1S/C31H28O9/c1-18(32)17-25(36)40-31-27(21-10-14-23(34)15-11-21)28(37)30(26(29(31)38)20-8-12-22(33)13-9-20)39-24(35)16-7-19-5-3-2-4-6-19/h2-6,8-15,18,32-34,37-38H,7,16-17H2,1H3/t18-/m0/s1 |
| InChI Key | DBQCFXJEISVQMJ-SFHVURJKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H28O9 |
| Molecular Weight | 544.50 g/mol |
| Exact Mass | 544.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of [2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(3-phenylpropanoyloxy)phenyl] (3S)-3-hydroxybutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/25-dihydroxy-36-bis4-hydroxyphenyl-4-3-phenylpropanoyloxyphenyl-3s-3-hydroxybutanoate.jpg "2D Structure of [2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(3-phenylpropanoyloxy)phenyl] (3S)-3-hydroxybutanoate")
| 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 | 99.13% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.43% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.67% | 94.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.27% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.57% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.52% | 95.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.06% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.95% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.41% | 91.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.43% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.34% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.16% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.05% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.20% | 94.73% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 82.12% | 97.53% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.03% | 92.67% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.81% | 100.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.23% | 95.17% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.02% | 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.
| Baccharis heterophylla |
| Baccharis patagonica |
| Baccharis peruviana |
| PubChem | 10325104 |
| LOTUS | LTS0127309 |
| wikiData | Q105167759 |