(5r)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4,5-dihydroxy-3-methoxyphenyl)-3-heptanone
Internal ID | d3c82eb8-d2de-4b9c-aa3b-e5f6864d3527 |
Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids |
IUPAC Name | (5R)-7-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)heptan-3-one |
SMILES (Canonical) | COC1=CC(=CC(=C1O)O)CCC(CC(=O)CCC2=CC(=C(C=C2)O)OC)O |
SMILES (Isomeric) | COC1=CC(=CC(=C1O)O)CC[C@H](CC(=O)CCC2=CC(=C(C=C2)O)OC)O |
InChI | InChI=1S/C21H26O7/c1-27-19-10-13(5-8-17(19)24)3-6-15(22)12-16(23)7-4-14-9-18(25)21(26)20(11-14)28-2/h5,8-11,16,23-26H,3-4,6-7,12H2,1-2H3/t16-/m1/s1 |
InChI Key | JHWWZAIWXYIMDH-MRXNPFEDSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C21H26O7 |
Molecular Weight | 390.40 g/mol |
Exact Mass | 390.16785316 g/mol |
Topological Polar Surface Area (TPSA) | 116.00 Ų |
XlogP | 2.30 |
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 | 99.37% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.60% | 96.09% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.42% | 95.17% |
CHEMBL2581 | P07339 | Cathepsin D | 96.15% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.02% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.01% | 94.45% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.86% | 99.15% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 89.83% | 90.20% |
CHEMBL2535 | P11166 | Glucose transporter | 88.46% | 98.75% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.34% | 85.14% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.31% | 90.71% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.15% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.23% | 96.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.79% | 92.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.61% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.17% | 94.73% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.75% | 94.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.67% | 95.50% |
CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.18% | 100.00% |
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.
Alpinia officinarum |
Zingiber officinale |
PubChem | 129864114 |
LOTUS | LTS0087489 |
wikiData | Q105128563 |