AG003MSC

855-96-9 | 3',5-DIHYDROXY-4',6,7-TRIMETHOXYFLAVONE

AG003MSC

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CAS Number	855-96-9
Catalog Number	AG003MSC(AGN-PC-0V1C22)
Chemical Name	3',5-DIHYDROXY-4',6,7-TRIMETHOXYFLAVONE
IUPAC Name	5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
InChI	InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
InChI Key	KLAOKWJLUQKWIF-UHFFFAOYSA-N
MDL Number	MFCD00016929
Molecular Formula	C18H16O7
Molecular Weight	344.3154
NSC Number	106402
SMILES	O=C1C2=C(O)C(OC)=C(OC)C=C2OC(C3=CC(O)=C(OC)C=C3)=C1
UNII	3J474AV6MY
Synonyms	3',5-dihydroxy-4',6,7-trimethoxyflavone, eupatorin, Eupatorin, 855-96-9, 3',5-Dihydroxy-4',6,7-trimethoxyflavone, Eupatorine, 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one, UNII-3J474AV6MY, NSC 106402, MFCD00016929, 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one, 3J474AV6MY, CHEMBL487402, 6-Methoxyluteolin 4',7-dimethyl ether, A1-01414, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one, Kinome_3214, Spectrum_001037, SpecPlus_000923, 5,3'-Dihydroxy-6,7,4'-trimethoxyflavone, AC1Q6AIH, Spectrum2_000456, Spectrum4_001833, Spectrum5_000625, 3',6,7-trimethoxyflavone, Flavone, 3',5-dihydroxy-4',6,7-trimethoxy-, AC1L3Y1I, KBioGR_002532, KBioSS_001517, DivK1c_007019, Eupatorin, analytical standard, SCHEMBL555597, SPBio_000532, ZINC1412, Eupatorin, >=97% (HPLC), ACon1_001351, CTK8D4716, KBio1_001963, KBio2_001517, KBio2_004085, KBio2_006653, DTXSID20234704, CHEBI:136666, KLAOKWJLUQKWIF-UHFFFAOYSA-N, HMS3262O20, Tox21_500799, BDBM50344054, CCG-38698, LMPK12111239, NSC106402, 4H-1-Benzopyran-4-one,7-dimethoxy-, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4h-chromen-4-on, AKOS015856247, MCULE-7438854859, 3,5-dihydroxy-4,6,7-trimethoxyflavone, 4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-, 6-methoxyluteolin-4'',7-dimethyl ether, NCGC00180598-01, NCGC00261484-01, 4CN-1494, AJ-08019, AK112334, Flavone,5-dihydroxy-4',6,7-trimethoxy-, ZB000328, AX8082670, TR-026736, FT-0614615, ST24044768, ST50331588, W1625, 3'',5-dihydroxy-4'',6,7-trimethoxy flavone, C-57546, 3'',5-DIHYDROXY-4'',6,7-TRIMETHOXYFLAVONE, Flavone, 3',5-dihydroxy-4',6,7-trimethoxy- (8CI), I14-111109, 6-Methoxyluteolin 4 inverted exclamation marka,7-dimethyl ether, 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dimethoxy-chromen-4-one, 3 inverted exclamation marka,5-Dihydroxy-4 inverted exclamation marka,6,7-trimethoxyflavone, 4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy- (9CI), C9-H15-N-O4-S, C18H16O7, CID97214, AR-1G8422, N-Acetyl-S-(3-oxobutyl)-L-cysteine, ACN-057333, C18-H16-O7, NSC-106402, L-Cysteine, N-acetyl-S-(3-oxobutyl)-, C103110, 92079-08-8,

Complexity	520
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	344.09g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	344.319g/mol
Monoisotopic Mass	344.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	94.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number