9-Hydroxy-4,6-bis(4-hydroxyphenyl)-9-methyl-11-propan-2-yltricyclo[5.2.2.02,6]undeca-4,10-diene-3,8-dione
| Internal ID | df244471-8486-48b6-b09f-147b6bce6ad0 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Cyclohexylphenols |
| IUPAC Name | 9-hydroxy-4,6-bis(4-hydroxyphenyl)-9-methyl-11-propan-2-yltricyclo[5.2.2.02,6]undeca-4,10-diene-3,8-dione |
| SMILES (Canonical) | CC(C)C1=CC2C3C(=O)C(=CC3(C1C(=O)C2(C)O)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O |
| SMILES (Isomeric) | CC(C)C1=CC2C3C(=O)C(=CC3(C1C(=O)C2(C)O)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O |
| InChI | InChI=1S/C27H26O5/c1-14(2)19-12-21-23-24(30)20(15-4-8-17(28)9-5-15)13-27(23,16-6-10-18(29)11-7-16)22(19)25(31)26(21,3)32/h4-14,21-23,28-29,32H,1-3H3 |
| InChI Key | JFXFDPCYNPIOGQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H26O5 |
| Molecular Weight | 430.50 g/mol |
| Exact Mass | 430.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 9-Hydroxy-4,6-bis(4-hydroxyphenyl)-9-methyl-11-propan-2-yltricyclo[5.2.2.02,6]undeca-4,10-diene-3,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/a9cdc450-84dd-11ee-93d3-cbc8abbf94fc.jpg "2D Structure of 9-Hydroxy-4,6-bis(4-hydroxyphenyl)-9-methyl-11-propan-2-yltricyclo[5.2.2.02,6]undeca-4,10-diene-3,8-dione")
| 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 | 97.66% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.70% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.55% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.66% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.89% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.71% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.16% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.90% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.74% | 89.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.42% | 85.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.10% | 99.23% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.48% | 97.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.89% | 91.19% |
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.
| Chamaecyparis obtusa |
| PubChem | 46209485 |
| LOTUS | LTS0120505 |
| wikiData | Q105127114 |