General Characteristics
| NatID | 378 |
| Common Name | 3-[2-(3,5-dimethoxy-4-hydroxyphenyl)-3-hydroxymethyl-2,3-dihydro-1-benzofuran-5yl]-propan-1-ol,Hyaloserin |
| Molecular Formula | C20H24O6 |
| Chemical Class | 2-arylbenzofuran flavonoids |
| Molecular Weight | 360.157 g/mol |
| Other names |
Representations
| Smiles | COc1cc([C@@H]2Oc3ccc(CCCO)cc3[C@H]2CO)cc(OC)c1O |
| Inchi | InChI=1S/C20H24O6/c1-24-17-9-13(10-18(25-2)19(17)23)20-15(11-22)14-8-12(4-3-7-21)5-6-16(14)26-20/h5-6,8-10,15,20-23H,3-4,7,11H2,1-2H3/t15-,20+/m1/s1 |
| Inchi Key | USQTYLHBAXTPBI-QRWLVFNGSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.54 |
| TPSA | 88.38 |
| HBD | 3 |
| HBA | 6 |
| Rotatable Bonds | 7 |
| Aromatic Rings | 2 |
| Heavy Atoms | 26 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 6 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9287 | Hyaloseris andrade-limae | No | Very High | de Trimarco, J. T., de Riscala, E. C., Catalán, C. A. N., Griffin, C. L., & Herz, W. (2004). Sesquiterpene lactones and a neolignan from Hyaloseris andrade-limae. Biochemical Systematics and Ecology, 32(11), 1063–1067. https://doi.org/10.1016/j.bse.2004.02.013 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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