| BioID | bio198596 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL498486 |
|---|
| Molecular Formula | C25H28O8 |
|---|
| Molecular Weight | 456.49 |
|---|
| Molecular Weight (Monoisotopic) | 456.1784 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 3,7-Bis(2-Hydroxyethyl)Icaritin |
|---|
| Smiles | COc1ccc(-c2oc3c(CC=C(C)C)c(OCCO)cc(O)c3c(=O)c2OCCO)cc1 |
|---|
| Inchi | InChI=1S/C25H28O8/c1-15(2)4-9-18-20(31-12-10-26)14-19(28)21-22(29)25(32-13-11-27)23(33-24(18)21)16-5-7-17(30-3)8-6-16/h4-8,14,26-28H,9-13H2,1-3H3 |
|---|
| Inchi Key | WTJGVHRGWYENBZ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 11.0 |
|---|
| Np Likeness Score | 1.4 |
|---|
| Records Key | ['5', '4a'] |
|---|
| Records Name | ['3,7-Bis(2-hydroxyethyl)icaritin', '5-hydroxy-3,7-bis(2-hydroxyethoxy)-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
