[5,7-Dihydroxy-2,2-dimethyl-6-(3-methylbut-2-enyl)chromen-8-yl]-phenylmethanone
| Internal ID | 6813a63a-c3ae-4eac-a942-e86b63eb2555 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzophenones |
| IUPAC Name | [5,7-dihydroxy-2,2-dimethyl-6-(3-methylbut-2-enyl)chromen-8-yl]-phenylmethanone |
| SMILES (Canonical) | CC(=CCC1=C(C(=C2C(=C1O)C=CC(O2)(C)C)C(=O)C3=CC=CC=C3)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=C2C(=C1O)C=CC(O2)(C)C)C(=O)C3=CC=CC=C3)O)C |
| InChI | InChI=1S/C23H24O4/c1-14(2)10-11-16-20(25)17-12-13-23(3,4)27-22(17)18(21(16)26)19(24)15-8-6-5-7-9-15/h5-10,12-13,25-26H,11H2,1-4H3 |
| InChI Key | PAIYOSAFOWPZIP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O4 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of [5,7-Dihydroxy-2,2-dimethyl-6-(3-methylbut-2-enyl)chromen-8-yl]-phenylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/57-dihydroxy-22-dimethyl-6-3-methylbut-2-enylchromen-8-yl-phenylmethanone.jpg "2D Structure of [5,7-Dihydroxy-2,2-dimethyl-6-(3-methylbut-2-enyl)chromen-8-yl]-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 | 98.55% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.27% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.57% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.50% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.47% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.38% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.00% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.08% | 95.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.54% | 94.62% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.14% | 85.30% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.43% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.79% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.16% | 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.
| Clusia ellipticifolia |
| Euphorbia peplus |
| Vismia pentagyna |
| PubChem | 91993518 |
| LOTUS | LTS0124073 |
| wikiData | Q105347361 |