4-[(E)-3-[4-(3-aminopropylamino)butyl-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]amino]prop-1-enyl]-2-methoxyphenol
| Internal ID | 572ff6fc-428f-4a97-8d41-ed47c51899e3 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 4-[(E)-3-[4-(3-aminopropylamino)butyl-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]amino]prop-1-enyl]-2-methoxyphenol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CCN(CCCCNCCCN)CC=CC2=CC(=C(C=C2)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/CN(C/C=C/C2=CC(=C(C=C2)O)OC)CCCCNCCCN)O |
| InChI | InChI=1S/C27H39N3O4/c1-33-26-20-22(10-12-24(26)31)8-5-18-30(17-4-3-15-29-16-7-14-28)19-6-9-23-11-13-25(32)27(21-23)34-2/h5-6,8-13,20-21,29,31-32H,3-4,7,14-19,28H2,1-2H3/b8-5+,9-6+ |
| InChI Key | JMNHYFJQGCEGHL-XVYDYJIPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H39N3O4 |
| Molecular Weight | 469.60 g/mol |
| Exact Mass | 469.29405673 g/mol |
| Topological Polar Surface Area (TPSA) | 100.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 4-[(E)-3-[4-(3-aminopropylamino)butyl-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]amino]prop-1-enyl]-2-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/64cc4480-87a3-11ee-9c43-01d58cfe18f8.jpg "2D Structure of 4-[(E)-3-[4-(3-aminopropylamino)butyl-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]amino]prop-1-enyl]-2-methoxyphenol")
| 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 | 99.41% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.00% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 97.85% | 90.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.00% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.21% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.90% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.86% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.39% | 90.20% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.83% | 89.62% |
| CHEMBL3194 | P02766 | Transthyretin | 87.44% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.20% | 94.73% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 85.08% | 98.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.96% | 90.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.33% | 91.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.14% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.21% | 98.75% |
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.
| Dianthus caryophyllus |
| PubChem | 129733685 |
| LOTUS | LTS0275795 |
| wikiData | Q105131544 |