AG00C6JE

41060-15-5 | 3''-PRENYLDAIDZEIN

AG00C6JE

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COA

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CAS Number	41060-15-5
Catalog Number	AG00C6JE(AGN-PC-0LPZNK)
Chemical Name	3''-PRENYLDAIDZEIN
IUPAC Name	7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
InChI	InChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3
InChI Key	OBGPEBYHGIUFBN-UHFFFAOYSA-N
MDL Number	MFCD00800660
Molecular Formula	C20H18O4
Molecular Weight	322.3545
SMILES	OC1=CC2=C(C(C(=CO2)C2=CC(=C(C=C2)O)CC=C(C)C)=O)C=C1
Synonyms	neobavaisoflavone, Neobavaisoflavone, 41060-15-5, eobavaisoflavoe, 3'-Prenyldaidzein, CHEBI:66614, 7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one, 7-hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-1-benzopyran-4-one, 7-Hydroxy-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-4H-chromen-4-one, 7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one, AC1NSYZV, CHEMBL512693, CTK8G1783, DTXSID30415769, HY-N0720, ZINC2570135, Neobavaisoflavone, >=98% (HPLC), LMPK12050027, MFCD00800660, AKOS032948372, CS-3755, MCULE-7736809487, 4CN-1263, FT-0689387, N1122, 4',7-Dihydroxy-3'-(3-methyl-2-butenyl)isoflavone, 7,4'-dihydroxy-3'-(3-methyl-buten-2-yl)isoflavone, 7,4'-dihydroxy-3'-(gamma,gamma-dimethylallyl)isoflavone, 7,4'-dihydroxy-3'-gamma,gamma-dimethylallyl isoflavone, 7-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-4H-chromen-4-one, 4H-1-Benzopyran-4-one,7-hydroxy-3-[4- hydroxy-3-(3-methyl-2-butenyl)phenyl]-, NCGC00385213-01!7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one, ACN-047157, CID5320053,

Complexity	532
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	322.121g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	322.36g/mol
Monoisotopic Mass	322.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number