2-Methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)-5-[6-methyl-1-[2,4,6-trihydroxy-3-(2-methylbutanoyl)-5-(3-methylbut-2-enyl)phenyl]heptyl]phenyl]butan-1-one
| Internal ID | 484f8bcf-76d6-4c7a-bb4a-bf295d7d11c9 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylmethanes |
| IUPAC Name | 2-methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)-5-[6-methyl-1-[2,4,6-trihydroxy-3-(2-methylbutanoyl)-5-(3-methylbut-2-enyl)phenyl]heptyl]phenyl]butan-1-one |
| SMILES (Canonical) | CCC(C)C(=O)C1=C(C(=C(C(=C1O)C(CCCCC(C)C)C2=C(C(=C(C(=C2O)CC=C(C)C)O)C(=O)C(C)CC)O)O)CC=C(C)C)O |
| SMILES (Isomeric) | CCC(C)C(=O)C1=C(C(=C(C(=C1O)C(CCCCC(C)C)C2=C(C(=C(C(=C2O)CC=C(C)C)O)C(=O)C(C)CC)O)O)CC=C(C)C)O |
| InChI | InChI=1S/C40H58O8/c1-11-24(9)33(41)31-37(45)27(19-17-22(5)6)35(43)29(39(31)47)26(16-14-13-15-21(3)4)30-36(44)28(20-18-23(7)8)38(46)32(40(30)48)34(42)25(10)12-2/h17-18,21,24-26,43-48H,11-16,19-20H2,1-10H3 |
| InChI Key | ZQOYQOOLMSLSSW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H58O8 |
| Molecular Weight | 666.90 g/mol |
| Exact Mass | 666.41316880 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | 12.10 |
| There are no found synonyms. |
![2D Structure of 2-Methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)-5-[6-methyl-1-[2,4,6-trihydroxy-3-(2-methylbutanoyl)-5-(3-methylbut-2-enyl)phenyl]heptyl]phenyl]butan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/182d5580-880c-11ee-8b93-5995a722660f.jpg "2D Structure of 2-Methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)-5-[6-methyl-1-[2,4,6-trihydroxy-3-(2-methylbutanoyl)-5-(3-methylbut-2-enyl)phenyl]heptyl]phenyl]butan-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.72% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.57% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.33% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.81% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.35% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.98% | 90.71% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.74% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.74% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.97% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.41% | 89.34% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.48% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.39% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.12% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.91% | 96.47% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.55% | 97.29% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.91% | 98.75% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.29% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.11% | 96.95% |
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.
| Helichrysum platypterum |
| PubChem | 162974242 |
| LOTUS | LTS0190322 |
| wikiData | Q105381619 |