(3S,5S,E)-1,7-Diphenylhept-1-ene-3,5-diol
| Internal ID | 646c68f8-c211-4bde-b0f6-61f52fd1f66b |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | (E,3S,5S)-1,7-diphenylhept-1-ene-3,5-diol |
| SMILES (Canonical) | C1=CC=C(C=C1)CCC(CC(C=CC2=CC=CC=C2)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)CC[C@@H](C[C@@H](/C=C/C2=CC=CC=C2)O)O |
| InChI | InChI=1S/C19H22O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,18-21H,12,14-15H2/b13-11+/t18-,19+/m1/s1 |
| InChI Key | YSRHCYXKOMRFPK-SHVSIGCLSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C19H22O2 |
| Molecular Weight | 282.40 g/mol |
| Exact Mass | 282.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 3.80 |
| (3S,5S,E)-1,7-Diphenylhept-1-ene-3,5-diol |
| 87095-75-8 |
| 232261-31-3 |
| (3R,5S,E)-1,7-Diphenylhept-1-ene-3,5-diol |
| BDBM50300190 |
| AKOS040762915 |
| FS-8295 |
| (3s,5s)-(e)-1,7-diphenylhept-1-ene-3,5-diol |
| (3S,5S)-trans-3,5-Dihydroxy-1,7-diphenyl-1-heptene |
| 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 |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.90% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.66% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.50% | 91.11% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 90.69% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.99% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.65% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.61% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.86% | 95.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.33% | 94.08% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 86.25% | 96.25% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 86.13% | 92.51% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.89% | 99.17% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 85.32% | 93.81% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.91% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.49% | 93.31% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.92% | 90.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.68% | 95.50% |
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 pinnanensis |
| PubChem | 45483934 |
| LOTUS | LTS0079891 |
| wikiData | Q105360588 |