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Diphyllin

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Category Human immunodeficiency Virus (HIV)
CAS 22055-22-7
Description Diphyllin is a lignan with anti-inflammatory activities.
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Product Information

Synonyms Diphyllin|22055-22-7|9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one|UNII-W4PN5LDP26|W4PN5LDP26|MLS000106853|CHEBI:4645|SMR000111229|9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one|9-(1,3-Benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one; NSC 309691|Naphtho(2,3-c)furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-|Naphtho[2,3-c]furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-|Oprea1_135417|Oprea1_318204|CHEMBL221190|cid_100492|SCHEMBL1061765|Diphyllin, >=98% (HPLC)|BDBM64979|DTXSID20176534|HMS1607M09|HMS2469A22|NP195|ZINC828203|EX-A3532|HY-N2532|XAA05522|NSC309691|AKOS000620412|CCG-111892|NSC 309691|NSC-309691|AC-34764|DS-006451|CS-0022803|FT-0701233|E80737|Q27106426|4-Hydroxy-6,7-dimethoxy-9-[3,4-(methylenedioxy)phenyl]-naphtho[2,3-c]furan-1(3H)-one|9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benz[f]isobenzofuran-1-one|9-(1,3-Benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one #|9-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-4-hydroxynaphtho[2,3-c]furan-1(3H)-one|9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-oxidanyl-3H-benzo[f][2]benzofuran-1-one|9-(13-Benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxynaphtho(2,3-c)furan-1(3H)-one|9-(benzo[d][1,3]dioxol-5-yl)-4-hydroxy-6,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one|Benz[f]isobenzofuran-1(3h)-one,9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-|Naphtho(2,3-c)furan-1(3H)-one, 4-hydroxy-6,7-dimethoxy-9-(3,4-(methylenedioxy)phenyl)-
IUPAC Name 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
Molecular Weight 380.35
Molecular Formula C21H16O7
Canonical SMILES COC1=C(C=C2C(=C1)C(=C3C(=C2O)COC3=O)C4=CC5=C(C=C4)OCO5)OC
InChI InChI=1S/C21H16O7/c1-24-15-6-11-12(7-16(15)25-2)20(22)13-8-26-21(23)19(13)18(11)10-3-4-14-17(5-10)28-9-27-14/h3-7,22H,8-9H2,1-2H3
InChIKey VMEJANRODATDOF-UHFFFAOYSA-N
Boiling Point 638.8°C at 760 mmHg
Melting Point 290 °C (methanol )
Flash Point 232.4°C
Purity 98%
Density 1.445g/cm3
Solubility In Vitro:
DMSO : 14.29 mg/mL(37.57 mM;Need ultrasonic)
In Vivo:
1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline
Solubility: ≥ 1.43 mg/mL (3.76 mM); Clear solution
2.Add each solvent one by one:10% DMSO >> 90%corn oil
Solubility: ≥ 1.43 mg/mL (3.76 mM); Clear solution
Appearance Powder
Storage Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
Complexity 597
Exact Mass 380.08960285
Index Of Refraction 1.679
PSA 83.45000
Target HIV-1: 0.38 μM (IC50)
Vesicular stomatitis virus (VSV)
Vacuolar type H+-ATPase: 17 nM (IC50)
Vapor Pressure 6.53E-17mmHg at 25°C
XLogP3-AA 3.6

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