2-[5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | ee54ef78-24d3-4d6d-9027-ea4a37283ddc |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids |
| IUPAC Name | 2-[5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CCC(CC(CCC2=CC(=C(C=C2)O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CCC(CC(CCC2=CC(=C(C=C2)O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| InChI | InChI=1S/C27H38O11/c1-35-21-11-15(5-9-19(21)30)3-7-17(29)13-18(8-4-16-6-10-20(31)22(12-16)36-2)37-27-26(34)25(33)24(32)23(14-28)38-27/h5-6,9-12,17-18,23-34H,3-4,7-8,13-14H2,1-2H3 |
| InChI Key | HITNONHMKMEYEQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H38O11 |
| Molecular Weight | 538.60 g/mol |
| Exact Mass | 538.24141202 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 2-[5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-5-hydroxy-17-bis4-hydroxy-3-methoxyphenylheptan-3-yloxy-6-hydroxymethyloxane-345-triol.jpg "2D Structure of 2-[5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 | 99.48% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.00% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.09% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.49% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.69% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.84% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.73% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.51% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.41% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.59% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.53% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.14% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.08% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.02% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.95% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.16% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.81% | 90.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.66% | 90.20% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.63% | 92.94% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.49% | 89.62% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.37% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.06% | 95.56% |
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.
| Tacca chantrieri |
| PubChem | 73077389 |
| LOTUS | LTS0193031 |
| wikiData | Q105029020 |