4-[(E,3S,4S)-4,5-dihydroxy-1-(4-methylphenyl)pent-1-en-3-yl]benzene-1,2-diol
| Internal ID | 6bb06610-cf03-43fc-885d-e9659e12f205 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 4-[(E,3S,4S)-4,5-dihydroxy-1-(4-methylphenyl)pent-1-en-3-yl]benzene-1,2-diol |
| SMILES (Canonical) | CC1=CC=C(C=C1)C=CC(C2=CC(=C(C=C2)O)O)C(CO)O |
| SMILES (Isomeric) | CC1=CC=C(C=C1)/C=C/[C@@H](C2=CC(=C(C=C2)O)O)[C@@H](CO)O |
| InChI | InChI=1S/C18H20O4/c1-12-2-4-13(5-3-12)6-8-15(18(22)11-19)14-7-9-16(20)17(21)10-14/h2-10,15,18-22H,11H2,1H3/b8-6+/t15-,18+/m0/s1 |
| InChI Key | PUDJVOUPUJHFDP-WHFNLZNOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20O4 |
| Molecular Weight | 300.30 g/mol |
| Exact Mass | 300.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 4-[(E,3S,4S)-4,5-dihydroxy-1-(4-methylphenyl)pent-1-en-3-yl]benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-e3s4s-45-dihydroxy-1-4-methylphenylpent-1-en-3-ylbenzene-12-diol.jpg "2D Structure of 4-[(E,3S,4S)-4,5-dihydroxy-1-(4-methylphenyl)pent-1-en-3-yl]benzene-1,2-diol")
| 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 | 97.91% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.85% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.81% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.72% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.96% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.39% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.61% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.50% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.42% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 85.85% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.44% | 99.15% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.20% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.31% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.86% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.64% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.59% | 94.45% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.50% | 90.24% |
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.
| Cryptomeria japonica |
| PubChem | 162970618 |
| LOTUS | LTS0219651 |
| wikiData | Q105215021 |