epi-Calyxin H
| Internal ID | 3cac02e9-06c1-4433-98c7-ed8f3e723ec1 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids |
| IUPAC Name | (E)-1-[2,4-dihydroxy-3-[(E,1R,5S)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenylhept-2-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | COC1=C(C(=C(C(=C1)O)C(C=CCC(CCC2=CC=CC=C2)O)C3=CC=C(C=C3)O)O)C(=O)C=CC4=CC=C(C=C4)O |
| SMILES (Isomeric) | COC1=C(C(=C(C(=C1)O)[C@H](/C=C/C[C@H](CCC2=CC=CC=C2)O)C3=CC=C(C=C3)O)O)C(=O)/C=C/C4=CC=C(C=C4)O |
| InChI | InChI=1S/C35H34O7/c1-42-32-22-31(40)33(35(41)34(32)30(39)21-13-24-11-17-27(37)18-12-24)29(25-14-19-28(38)20-15-25)9-5-8-26(36)16-10-23-6-3-2-4-7-23/h2-7,9,11-15,17-22,26,29,36-38,40-41H,8,10,16H2,1H3/b9-5+,21-13+/t26-,29-/m1/s1 |
| InChI Key | VIHJUBYCOAJPQW-ZNXDDXSSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C35H34O7 |
| Molecular Weight | 566.60 g/mol |
| Exact Mass | 566.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 7.10 |
| CHEBI:69574 |
| Q27137917 |
| (E)-1-[2,4-dihydroxy-3-[(E,1R,5S)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenylhept-2-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| 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 | 98.71% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.01% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.54% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.45% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.10% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 95.10% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.29% | 95.56% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 92.36% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.65% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.96% | 90.20% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.94% | 94.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.85% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.70% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.04% | 85.14% |
| CHEMBL3194 | P02766 | Transthyretin | 85.99% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.72% | 94.73% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.25% | 94.08% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.10% | 93.31% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.56% | 91.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.87% | 93.99% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.62% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.37% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.69% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.16% | 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 roxburghii |
| Piper nigrum |
| PubChem | 11801102 |
| LOTUS | LTS0204931 |
| wikiData | Q105173876 |