4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone
| Internal ID | d28e2b51-6b93-4aa3-b64f-67449c7b2d46 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones |
| IUPAC Name | 1-[3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2,4,5,6-tetrahydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C(=C(C(=C1O)O)O)C(=O)CCC2=CC=C(C=C2)O)O)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C\CC1=C(C(=C(C(=C1O)O)O)C(=O)CCC2=CC=C(C=C2)O)O)/C)C |
| InChI | InChI=1S/C25H30O6/c1-15(2)5-4-6-16(3)7-13-19-22(28)21(24(30)25(31)23(19)29)20(27)14-10-17-8-11-18(26)12-9-17/h5,7-9,11-12,26,28-31H,4,6,10,13-14H2,1-3H3/b16-7- |
| InChI Key | NMIIWAISRYUHLN-APSNUPSMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30O6 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 6.10 |
| LMPK12120560 |
| 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 | 96.06% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.93% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.00% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.98% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.88% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.27% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.24% | 92.08% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.95% | 97.21% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 87.89% | 85.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.21% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.03% | 95.50% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.59% | 93.10% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.42% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.21% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.10% | 95.56% |
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.
| Helichrysum monticola |
| PubChem | 42607716 |
| LOTUS | LTS0087597 |
| wikiData | Q105181793 |