AG00DA52

524-12-9 | 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c][1]benzopyran-6-one

AG00DA52

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CAS Number	524-12-9
Catalog Number	AG00DA52(AGN-PC-0LPKH8)
Chemical Name	1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
IUPAC Name	1,8,9-trihydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
InChI	InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3
InChI Key	XQDCKJKKMFWXGB-UHFFFAOYSA-N
MDL Number	MFCD07778564
Molecular Formula	C16H10O7
Molecular Weight	314.2464
SMILES	O=c1c2c(c3c(o1)cc(cc3O)OC)oc1c2cc(c(c1)O)O
UNII	0K6L725GNS
Synonyms	wedelolactone, Wedelolactone, 524-12-9, UNII-0K6L725GNS, 7-Methoxy-5,11,12-trihydroxycoumestan, 7-Methoxy-5,11,12-trihydroxy-coumestan, 1,8,9-Trihydroxy-3-methoxycoumestan, Wedelolactone, Eclipta alba, CHEMBL97453, 0K6L725GNS, CHEBI:10037, IKK Inhibitor II, Wedelolactone, MFCD07778564, 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c][1]benzopyran-6-one, 1,8,9-trihydroxy-3-methoxy-benzofuro[3,2-c]chromen-6-one, 1,8,9-Trihydroxy-3-methoxy-6H-[1]benzofuro[3,2-c]chromen-6-one, IKK Inhibitor II, AC1NQZ4Z, SCHEMBL601220, GTPL5551, CTK8G3781, DTXSID60200408, Wedelolactone, analytical standard, HMS2043P19, BCP19859, ZINC6483512, BDBM50096619, CM-842, LMPK12090046, AKOS015897173, CCG-208289, SMP2_000112, 5,11,12-Trihydroxy-7-methoxycoumestan, NCGC00163667-01, NCGC00163667-02, NCGC00163667-03, Wedelolactone, >=98% (HPLC), powder, AN-45548, SC-67595, FT-0698529, N2131, A14804, C10541, K00058, 524W129, SR-05000002318, I07-0266, SR-05000002318-2, BRD-K53635676-001-01-5, BRD-K53635676-001-02-3, Wedelolactone; 7-Methoxy-5,11,12-trihydroxy-coumestan, 1,8,9-trihydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one, 1,8,9-trihydroxy-3-methoxy-[1]benzoxolo[3,2-c]chromen-6-one, 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one, Wedelolactone, European Pharmacopoeia (EP) Reference Standard, 1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]chromen-6-one, 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 1,8,9-trihydroxy-3-methoxy-, 6H-Benzofuro[3,2-c][1]benzopyran-6-one,1,8,9-trihydroxy-3-methoxy-, D0F8QJ, C16H10O7, ACN-047038, C16-H10-O7, CID5281813, C051122, Wedelolactone, 98%, from Wedelia chinensis (Osbeck.) Merr. - 5MG 5mg,

Complexity	483
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	314.043g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	314.249g/mol
Monoisotopic Mass	314.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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