2-[1-Hydroxy-9-(4-hydroxyphenyl)nonyl]benzene-1,3-diol
| Internal ID | 35caa417-0608-42a5-955f-b19c549f2e68 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 2-[1-hydroxy-9-(4-hydroxyphenyl)nonyl]benzene-1,3-diol |
| SMILES (Canonical) | C1=CC(=C(C(=C1)O)C(CCCCCCCCC2=CC=C(C=C2)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C(=C1)O)C(CCCCCCCCC2=CC=C(C=C2)O)O)O |
| InChI | InChI=1S/C21H28O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,18,22-25H,1-6,8-9H2 |
| InChI Key | NPECRGHPSAVCMJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H28O4 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 2-[1-Hydroxy-9-(4-hydroxyphenyl)nonyl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2-1-hydroxy-9-4-hydroxyphenylnonylbenzene-13-diol.jpg "2D Structure of 2-[1-Hydroxy-9-(4-hydroxyphenyl)nonyl]benzene-1,3-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.74% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.12% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.49% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.38% | 93.99% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.86% | 94.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.97% | 99.17% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 87.51% | 98.35% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.38% | 97.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.05% | 94.73% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 83.54% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.37% | 98.75% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.18% | 97.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.06% | 95.56% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 82.57% | 93.81% |
| CHEMBL3761 | Q9HCG7 | Beta-glucosidase | 81.02% | 99.00% |
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.
| Myristica fragrans |
| PubChem | 44576024 |
| LOTUS | LTS0163357 |
| wikiData | Q105182993 |