CID 9829786
| Internal ID | 2e513b5f-5bc7-4540-968a-b922940be1ec |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids |
| IUPAC Name | (E)-1-[2,4-dihydroxy-3-[(E,1S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-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=C(C=C2)O)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=C(C=C2)O)O)C3=CC=C(C=C3)O)O)C(=O)/C=C/C4=CC=C(C=C4)O |
| InChI | InChI=1S/C35H34O8/c1-43-32-21-31(41)33(35(42)34(32)30(40)20-10-23-8-16-27(38)17-9-23)29(24-11-18-28(39)19-12-24)4-2-3-25(36)13-5-22-6-14-26(37)15-7-22/h2,4,6-12,14-21,25,29,36-39,41-42H,3,5,13H2,1H3/b4-2+,20-10+/t25-,29+/m1/s1 |
| InChI Key | DHYXVFFHVYUZJU-PEVIGJGQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H34O8 |
| Molecular Weight | 582.60 g/mol |
| Exact Mass | 582.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | 6.80 |
| 164991-53-1 |
| (E)-1-[2,4-Dihydroxy-3-[(E,1S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| SCHEMBL2228718 |
| (2E)-1-[2,4-Dihydroxy-3-[(1S,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-2-hepten-1-yl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one |
| HY-N3527 |
| AKOS040761448 |
| FS-10457 |
| CS-0023767 |
| 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 | 98.53% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.84% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.63% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.13% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.56% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.92% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.85% | 95.50% |
| CHEMBL3194 | P02766 | Transthyretin | 92.73% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.25% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.54% | 98.75% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 90.45% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.58% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.15% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.34% | 95.89% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.96% | 90.20% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.00% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.50% | 89.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.23% | 94.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.85% | 85.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.81% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.50% | 94.73% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.91% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.21% | 93.31% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.12% | 89.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.12% | 92.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.06% | 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 |
| PubChem | 9829786 |
| LOTUS | LTS0208093 |
| wikiData | Q104981016 |