(2R)-5-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-6-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)chromen-7-ol
| Internal ID | 99e4f889-119f-45e9-80eb-3816c0699439 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (2R)-5-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-6-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)chromen-7-ol |
| SMILES (Canonical) | CC(=CCCC1(C=CC2=C(O1)C=C(C(=C2C3=CC4=C(O3)C=C(C=C4)O)CC=C(C)C)O)C)C |
| SMILES (Isomeric) | CC(=CCC[C@@]1(C=CC2=C(O1)C=C(C(=C2C3=CC4=C(O3)C=C(C=C4)O)CC=C(C)C)O)C)C |
| InChI | InChI=1S/C29H32O4/c1-18(2)7-6-13-29(5)14-12-23-26(33-29)17-24(31)22(11-8-19(3)4)28(23)27-15-20-9-10-21(30)16-25(20)32-27/h7-10,12,14-17,30-31H,6,11,13H2,1-5H3/t29-/m1/s1 |
| InChI Key | VQQUYMQQJUEGEB-GDLZYMKVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H32O4 |
| Molecular Weight | 444.60 g/mol |
| Exact Mass | 444.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 62.80 Ų |
| XlogP | 8.10 |
| There are no found synonyms. |
| 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 | 99.56% | 91.11% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 97.61% | 95.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.47% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.35% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.81% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 92.27% | 85.30% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 91.96% | 91.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.03% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.67% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.42% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.98% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.95% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.82% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.10% | 94.75% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.41% | 85.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.91% | 95.93% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.61% | 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.
| Artocarpus petelotii |
| PubChem | 162961758 |
| LOTUS | LTS0186975 |
| wikiData | Q105291428 |