Pierotin A
| Internal ID | 88e23c59-db3a-4665-9470-306136ec6e7a |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids |
| IUPAC Name | 1-[3-[[2,4-dihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]-6-methoxyphenyl]methyl]-2,6-dihydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one |
| SMILES (Canonical) | COC1=C(C(=C(C(=C1)O)C(=O)CCC2=CC=C(C=C2)O)O)CC3=C(C=C(C(=C3O)C(=O)CCC4=CC=C(C=C4)O)O)OC |
| SMILES (Isomeric) | COC1=C(C(=C(C(=C1)O)C(=O)CCC2=CC=C(C=C2)O)O)CC3=C(C=C(C(=C3O)C(=O)CCC4=CC=C(C=C4)O)O)OC |
| InChI | InChI=1S/C33H32O10/c1-42-28-16-26(38)30(24(36)13-7-18-3-9-20(34)10-4-18)32(40)22(28)15-23-29(43-2)17-27(39)31(33(23)41)25(37)14-8-19-5-11-21(35)12-6-19/h3-6,9-12,16-17,34-35,38-41H,7-8,13-15H2,1-2H3 |
| InChI Key | FLBZSYKHHHOVLP-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C33H32O10 |
| Molecular Weight | 588.60 g/mol |
| Exact Mass | 588.19954721 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | 5.90 |
| CHEMBL451422 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.69% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.33% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.16% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.98% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.23% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.18% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.99% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.44% | 96.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.36% | 90.20% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.36% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.89% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 86.95% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.22% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.12% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.02% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.54% | 97.21% |
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.
| Pieris japonica |
| PubChem | 11192582 |
| LOTUS | LTS0049621 |
| wikiData | Q104996934 |