(E)-1-[2,4-dihydroxy-3-[(E,1S,5S)-5-hydroxy-1,7-diphenylhept-2-enyl]-6-methoxyphenyl]-3-phenylprop-2-en-1-one
| Internal ID | bce156cc-ef74-4a9f-92db-a7f1cdab317f |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | (E)-1-[2,4-dihydroxy-3-[(E,1S,5S)-5-hydroxy-1,7-diphenylhept-2-enyl]-6-methoxyphenyl]-3-phenylprop-2-en-1-one |
| SMILES (Canonical) | COC1=C(C(=C(C(=C1)O)C(C=CCC(CCC2=CC=CC=C2)O)C3=CC=CC=C3)O)C(=O)C=CC4=CC=CC=C4 |
| SMILES (Isomeric) | COC1=C(C(=C(C(=C1)O)[C@@H](/C=C/C[C@H](CCC2=CC=CC=C2)O)C3=CC=CC=C3)O)C(=O)/C=C/C4=CC=CC=C4 |
| InChI | InChI=1S/C35H34O5/c1-40-32-24-31(38)33(35(39)34(32)30(37)23-21-26-14-7-3-8-15-26)29(27-16-9-4-10-17-27)19-11-18-28(36)22-20-25-12-5-2-6-13-25/h2-17,19,21,23-24,28-29,36,38-39H,18,20,22H2,1H3/b19-11+,23-21+/t28-,29+/m1/s1 |
| InChI Key | ZGDVGQZBBLIRKQ-JJPPCVOQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H34O5 |
| Molecular Weight | 534.60 g/mol |
| Exact Mass | 534.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of (E)-1-[2,4-dihydroxy-3-[(E,1S,5S)-5-hydroxy-1,7-diphenylhept-2-enyl]-6-methoxyphenyl]-3-phenylprop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/d4a04c90-8527-11ee-a482-8b219f25eb66.jpg "2D Structure of (E)-1-[2,4-dihydroxy-3-[(E,1S,5S)-5-hydroxy-1,7-diphenylhept-2-enyl]-6-methoxyphenyl]-3-phenylprop-2-en-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.50% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.03% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.34% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.24% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.87% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 94.23% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.99% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.51% | 96.00% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 91.27% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.93% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.78% | 90.20% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.83% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 89.70% | 94.08% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.51% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.40% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.60% | 93.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.43% | 94.45% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 81.47% | 98.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.45% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.16% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 80.68% | 90.71% |
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.
| There are no matching plants. |
| PubChem | 102173060 |
| LOTUS | LTS0216334 |
| wikiData | Q105375093 |