1-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-6-heptene-3,5-dione
| Internal ID | 87fb85cb-3cc6-4225-95a8-a7ac2af1c61b |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids |
| IUPAC Name | 7-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)CC(=O)CC(C2=CC(=C(C=C2)O)OC)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)CC(=O)CC(C2=CC(=C(C=C2)O)OC)O)O |
| InChI | InChI=1S/C21H22O7/c1-27-20-9-13(4-7-17(20)24)3-6-15(22)11-16(23)12-19(26)14-5-8-18(25)21(10-14)28-2/h3-10,19,24-26H,11-12H2,1-2H3 |
| InChI Key | NKDVMZOMVJQUDC-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H22O7 |
| Molecular Weight | 386.40 g/mol |
| Exact Mass | 386.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
| 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 | 99.25% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.02% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.93% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.73% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.14% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.57% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.35% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.91% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.80% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.83% | 90.20% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.31% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.37% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.63% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.10% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 83.14% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.97% | 98.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.38% | 89.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.79% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.60% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.25% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.03% | 96.95% |
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.
| Curcuma longa |
| PubChem | 68548065 |
| LOTUS | LTS0095104 |
| wikiData | Q105180534 |