(3R,5R)-1,7-bis(3,4-dimethoxyphenyl)heptane-3,5-diol
| Internal ID | 8f93a91a-7e71-48aa-af9d-f9ac3e6f99fa |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids |
| IUPAC Name | (3R,5R)-1,7-bis(3,4-dimethoxyphenyl)heptane-3,5-diol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)CCC(CC(CCC2=CC(=C(C=C2)OC)OC)O)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)CC[C@H](C[C@@H](CCC2=CC(=C(C=C2)OC)OC)O)O)OC |
| InChI | InChI=1S/C23H32O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h7-8,11-14,18-19,24-25H,5-6,9-10,15H2,1-4H3/t18-,19-/m1/s1 |
| InChI Key | NLRQFTHYBLYLSS-RTBURBONSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H32O6 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 3.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.61% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.12% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.75% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.98% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.71% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.30% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.10% | 91.11% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.02% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.85% | 93.31% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.47% | 86.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.67% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.43% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.43% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.39% | 94.45% |
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 | 10949483 |
| LOTUS | LTS0094395 |
| wikiData | Q105181530 |