(E)-6-(2,5-dihydroxy-3-methylphenyl)-1-[(1R,6S,7S)-2,4-dihydroxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methylhex-4-en-2-one
| Internal ID | eac28114-8813-49f0-b511-8017d888b2ee |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylated hydroquinones |
| IUPAC Name | (E)-6-(2,5-dihydroxy-3-methylphenyl)-1-[(1R,6S,7S)-2,4-dihydroxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methylhex-4-en-2-one |
| SMILES (Canonical) | CC1=CC(=CC(=C1O)CC=C(C)CC(=O)CC2(CC3C(=CC(=CC2(C3(C)C)C)O)O)C)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1O)C/C=C(\C)/CC(=O)C[C@@]2(C[C@H]3C(=CC(=C[C@@]2(C3(C)C)C)O)O)C)O |
| InChI | InChI=1S/C27H36O5/c1-16(7-8-18-11-19(28)10-17(2)24(18)32)9-20(29)13-26(5)15-22-23(31)12-21(30)14-27(26,6)25(22,3)4/h7,10-12,14,22,28,30-32H,8-9,13,15H2,1-6H3/b16-7+/t22-,26+,27+/m0/s1 |
| InChI Key | NOCISAZINLIHQQ-HUYMGUQOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H36O5 |
| Molecular Weight | 440.60 g/mol |
| Exact Mass | 440.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of (E)-6-(2,5-dihydroxy-3-methylphenyl)-1-[(1R,6S,7S)-2,4-dihydroxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methylhex-4-en-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/35420880-8732-11ee-81d1-ebdd65515ee3.jpg "2D Structure of (E)-6-(2,5-dihydroxy-3-methylphenyl)-1-[(1R,6S,7S)-2,4-dihydroxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methylhex-4-en-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.16% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.61% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.99% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.02% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.05% | 90.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.91% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.68% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.87% | 86.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.35% | 97.28% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.28% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.94% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.74% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.54% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.68% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.63% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.92% | 91.07% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.33% | 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.
| There are no matching plants. |
| PubChem | 101932288 |
| LOTUS | LTS0083879 |
| wikiData | Q105182468 |