General Information of the Compound
| Compound ID |
CP0264367
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| Compound Name |
3,7-Bis(2-hydroxyethyl)icaritin
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| Synonyms |
1067198-74-6
3,7-Bis(2-hydroxyethoxy)-5-hydroxy-4'-methoxy-8-(3-methyl-2-butenyl)flavone
3,7-Bis(2-hydroxyethyl)icaritin
4H-1-Benzopyran-4-one, 5-hydroxy-3,7-bis(2-hydroxyethoxy)-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-
5U58D99D1L
BDBM50272529
CHEMBL498486
SCHEMBL18533069
UNII-5U58D99D1L
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| Structure |
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| Formula |
C25H28O8
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| Molecular Weight |
456.491
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| Canonical SMILES |
COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(OCCO)cc(O)c2c(=O)c1OCCO
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| 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
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| InChIKey |
WTJGVHRGWYENBZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound