AG0037F1

480-19-3 | 3,5,7-Trihydroxy-2-(4-hydroxy-3-metoxyphenyl)benzopyran-4-one

AG0037F1

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CAS Number	480-19-3
Catalog Number	AG0037F1(AGN-PC-0RY49M)
Chemical Name	3,5,7-Trihydroxy-2-(4-hydroxy-3-metoxyphenyl)benzopyran-4-one
EC Number	207-545-5
IUPAC Name	3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
InChI	InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
InChI Key	IZQSVPBOUDKVDZ-UHFFFAOYSA-N
MDL Number	MFCD00017310
Molecular Formula	C16H12O7
Molecular Weight	316.2623
SMILES	COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O
UNII	07X3IB4R4Z
Synonyms	3,4',5,7-tetrahydroxy-3'-methoxy-flavone, 3,4',5,7-tetrahydroxy-3'-methoxyflavone, 3-methyl-quercetin, 3-methylquercetin, 3-O-methylquercetin, iso-rhamnetin, isorhamnetin, isorhamnetine, Isorhamnetin, 480-19-3, 3-Methylquercetin, Isorhamnetol, 3'-Methoxyquercetin, Quercetin 3'-methyl ether, 3'-O-Methylquercetin, 3'-Methoxy-3,4',5,7-tetrahydroxyflavone, 3'-Methylquercetin, isorhamnetine, C.I. 75680, 3-Methylquercetine, UNII-07X3IB4R4Z, CCRIS 3791, 3,4',5,7-Tetrahydroxy-3'-methoxyflavone, 3'-O-Methyl Quercetin, C16H12O7, EINECS 207-545-5, Flavone, 3'-methoxy-3,4',5,7-tetrahydroxy-, BRN 0044723, FLAVONE, 3,4',5,7-TETRAHYDROXY-3'-METHOXY-, 3,5,7,4'-Tetrahydroxy-3'-methoxyflavone, 07X3IB4R4Z, CHEBI:6052, CHEMBL379064, 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2-(3-methoxy-4-hydroxyphenyl)-3,5,7-trihydroxy-, MFCD00017310, 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, Q-100518, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one, iso-rhamnetin, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one, 3,5,7-Trihydroxy-2-(4-hydroxy-3-metoxyphenyl)benzopyran-4-one, 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one, SR-05000002256, isorhamentin, Isorhanetin,(S), AC1NQYTP, 3,4',5,7-tetrahydroxy-3'-methoxy-flavone, Oprea1_145406, SCHEMBL19235, MEGxp0_001863, ACon1_000275, BDBM23409, CTK8E4477, Isorhamnetin, analytical standard, KS-00000JEU, DTXSID10197379, IZQSVPBOUDKVDZ-UHFFFAOYSA-N, ZINC517261, BCP11534, HY-N0776, Isorhamnetin, >=95.0% (HPLC), CI-259, LMPK12110002, SBB067248, AKOS015905141, CCG-208422, CCG-208453, CS-5945, NCGC00163572-01, NCGC00163572-02, NCGC00163572-03, NCGC00180719-01, AC-20263, AK168225, AN-45180, CC-29718, LS-69023, LS-69043, O276, SC-19267, ZB014262, 3,3',5,7-Tetrahydroxy-3'-methoxyflavone, TR-036851, FT-0603409, N1358, ST50309356, 3'-METHOXY-4',5,7-TRIHYDROXYFLAVONOL, C10084, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl), 480I193, C-19475, SR-05000002256-2, SR-05000002256-3, BRD-K83977206-001-01-4, Isorhamnetin, primary pharmaceutical reference standard, Isorhamnetin, United States Pharmacopeia (USP) Reference Standard, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-benzopyran-4-one, 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one #, 3 inverted exclamation marka-Methoxy-3,4 inverted exclamation marka,5,7-tetrahydroxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)- (9CI), IRH, Tamarixetin, Isohamnetin, Flavonoid, 4'-Methylquercetin, 4'-Methoxyquercetin, 3-methyl-quercetin, 4'-O-Methylquercetin, 3-O-Methylquercetin, -4H-chromen-4-one, D07YDN, Quercetin, 4'-methyl ether, EINECS 210-050-7, ACN-035735, C16-H12-O7, CID5281654, BRN 0324993, 4'-Methoxy-3,3',5,7-tetrahydroxy-flavone, 5-18-05-00496 (Beilstein Handbook Reference), Flavone, 3,3',5,7-tetrahydroxy-4'-methoxy-, C047368, FLAVONE, 4'-METHOXY-3,3',5,7-TETRAHYDROXY-, 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-,

Complexity	503
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	316.058g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	316.265g/mol
Monoisotopic Mass	316.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	116A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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