[3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]phenylmethanone
| Internal ID | 62aedddd-55e0-4ef8-8288-d1c1e958ab2d |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzophenones |
| IUPAC Name | [3-(3,7-dimethylocta-2,6-dienyl)-2,4,6-trihydroxyphenyl]-phenylmethanone |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC=CC=C2)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC=CC=C2)O)C)C |
| InChI | InChI=1S/C23H26O4/c1-15(2)8-7-9-16(3)12-13-18-19(24)14-20(25)21(23(18)27)22(26)17-10-5-4-6-11-17/h4-6,8,10-12,14,24-25,27H,7,9,13H2,1-3H3 |
| InChI Key | ZAIQNYMNZNXUAF-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C23H26O4 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of [3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]phenylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/3-37-dimethyl-26-octadienyl-246-trihydroxyphenylphenylmethanone.jpg "2D Structure of [3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]phenylmethanone")
| 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 | 97.68% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.63% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.10% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.83% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.70% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.42% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.00% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.81% | 95.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.97% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.19% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.58% | 90.00% |
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.
| Garcinia vieillardii |
| Helichrysum crispum |
| Helichrysum litorale |
| Helichrysum monticola |
| Hypericum roeperianum |
| Tovomita krukovii |
| Tovomita longifolia |
| PubChem | 497548 |
| LOTUS | LTS0028769 |
| wikiData | Q105369901 |