Loureirin A 5mg

CAT: 0628-A22313-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A22313-5Size:5 mg

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CAS Number

119425-89-7

Chemical Information

Loureirin A

Loureirin A has been reported in Dracaena cochinchinensis, Soymida febrifuga, and Garcinia dulcis with data available.

CAS Number	119425-89-7
PubChem CID	5319081
IUPAC Name	3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
Molecular Formula	C17H18O4
Molecular Weight	286.32
XLogP	3.1
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	323

SMILES

COC1=CC(=C(C=C1)CCC(=O)C2=CC=C(C=C2)O)OC

InChI

InChI=1S/C17H18O4/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-5,7-9,11,18H,6,10H2,1-2H3

InChIKey

RSAIVLRELNGZEY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119425-89-7

CID: 5319081

Formula: C17H18O4

MW: 286.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	286.32
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	286.12050905
Monoisotopic Mass	286.12050905
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	323
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes