Cirsiliol

CAT: 0127-BUP21650-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP21650-01Size:2 mg

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CAS Number

34334-69-5

MDL Number

MFCD00210577

Purity

=98%

Smiles

COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1

Chemical Information

Cirsiliol

Cirsiliol is a dimethoxyflavone that is flavone substituted by methoxy groups at positions 6 and 7 and hydroxy groups at positions 5, 3' and 4' respectively. It has a role as a plant metabolite. It is a dimethoxyflavone and a trihydroxyflavone. It is functionally related to a flavone.

CAS Number	34334-69-5
PubChem CID	160237
IUPAC Name	2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
Molecular Formula	C17H14O7
Molecular Weight	330.29
XLogP	2.6
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	505

SMILES

COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC

InChI

InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3

InChIKey

IMEYGBIXGJLUIS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34334-69-5

CID: 160237

Formula: C17H14O7

MW: 330.29

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	330.29
XLogP3	2.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	330.07395278
Monoisotopic Mass	330.07395278
Topological Polar Surface Area	105 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	505
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

Alternative Products

Catalog	Name
BA7918-5	Cirsiliol
A19602-10	Cirsiliol 10mg
A19602-50	Cirsiliol 50mg
A19602-2	Cirsiliol 2mg
A19602-1	Cirsiliol 1mg
A19602-25	Cirsiliol 25mg
HY-110399R	Cirsiliol (Standard)
A19602-100	Cirsiliol 100mg
A19602-5	Cirsiliol 5mg
T75532-01	Cirsiliol 4′-glucoside

Cirsiliol

Chemical Information

Alternative Products

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