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(±)-Isoxanthohumol

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Category Herpes simplex Virus (HSV)
CAS 521-48-2
Description It is one of many bioactive prenylflavonoids that can be isolated from the hops plant or humulus lupulus L. It has apparent chemotherapeutic prevention activity. It has also shown notable antiviral, antibacterial and antifungal activity.
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Product Information

Synonyms 2,3-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one; 4',7-Dihydroxy-5-methoxy-8-(3-methyl-2-butenyl)-flavanone; 5-Methylsophoraflavanone B; 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-buten-1-yl)-; 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-; Flavanone, 4',7-dihydroxy-5-methoxy-8-(3-methyl-2-butenyl)-; Isoxanthohumol
IUPAC Name 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Molecular Weight 354.40
Molecular Formula C21H22O5
Canonical SMILES CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=CC=C(C=C3)O)C
InChI InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
InChIKey YKGCBLWILMDSAV-UHFFFAOYSA-N
Boiling Point 585.8±50.0°C (Predicted)
Melting Point 183-187°C
Purity 96%
Density 1.245±0.06 g/cm3 (Predicted)
Solubility Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance Pale Yellow Solid
Storage Store at 2-8°C
Complexity 519
Exact Mass 354.14672380
PSA 75.99000
Target HSV
XLogP3-AA 4.1

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