1-(2,6-Dihydroxyphenyl)-9-[3-[2-[9-(2,6-dihydroxyphenyl)-9-oxononyl]-4,5-dihydroxyphenyl]-4,5-dihydroxyphenyl]nonan-1-one
| Internal ID | 6fddf35a-d5fd-4cb3-aa20-168d52682b4e |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Biphenols |
| IUPAC Name | 1-(2,6-dihydroxyphenyl)-9-[3-[2-[9-(2,6-dihydroxyphenyl)-9-oxononyl]-4,5-dihydroxyphenyl]-4,5-dihydroxyphenyl]nonan-1-one |
| SMILES (Canonical) | C1=CC(=C(C(=C1)O)C(=O)CCCCCCCCC2=CC(=C(C(=C2)O)O)C3=CC(=C(C=C3CCCCCCCCC(=O)C4=C(C=CC=C4O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C(=C1)O)C(=O)CCCCCCCCC2=CC(=C(C(=C2)O)O)C3=CC(=C(C=C3CCCCCCCCC(=O)C4=C(C=CC=C4O)O)O)O)O |
| InChI | InChI=1S/C42H50O10/c43-31(40-33(45)19-13-20-34(40)46)17-11-7-3-1-5-9-15-27-23-30(42(52)39(51)24-27)29-26-38(50)37(49)25-28(29)16-10-6-2-4-8-12-18-32(44)41-35(47)21-14-22-36(41)48/h13-14,19-26,45-52H,1-12,15-18H2 |
| InChI Key | HNNIOJRPGIZVSF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H50O10 |
| Molecular Weight | 714.80 g/mol |
| Exact Mass | 714.34039779 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | 11.10 |
| There are no found synonyms. |
![2D Structure of 1-(2,6-Dihydroxyphenyl)-9-[3-[2-[9-(2,6-dihydroxyphenyl)-9-oxononyl]-4,5-dihydroxyphenyl]-4,5-dihydroxyphenyl]nonan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/daf72870-85ef-11ee-a3b6-f1e096b5d2cb.jpg "2D Structure of 1-(2,6-Dihydroxyphenyl)-9-[3-[2-[9-(2,6-dihydroxyphenyl)-9-oxononyl]-4,5-dihydroxyphenyl]-4,5-dihydroxyphenyl]nonan-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 98.96% | 95.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.43% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.69% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.17% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.64% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.11% | 94.73% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 89.14% | 96.25% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.19% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.74% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.00% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.30% | 96.95% |
| CHEMBL3194 | P02766 | Transthyretin | 85.16% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.24% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.99% | 93.99% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.46% | 90.20% |
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 gigantea |
| PubChem | 10349889 |
| LOTUS | LTS0269936 |
| wikiData | Q105030963 |