Gardenin A 50mg

CAT: 0628-A24235-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A24235-50Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

21187-73-5

Chemical Information

Gardenin A

Gardenin A is a flavonoid. It has a role as an anxiolytic drug and an anticonvulsant.

CAS Number	21187-73-5
PubChem CID	261859
IUPAC Name	5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Molecular Formula	C21H22O9
Molecular Weight	418.4
XLogP	3.2
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	30
Formal Charge	0
Complexity	610

SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O

InChI

InChI=1S/C21H22O9/c1-24-13-7-10(8-14(25-2)17(13)26-3)12-9-11(22)15-16(23)19(27-4)21(29-6)20(28-5)18(15)30-12/h7-9,23H,1-6H3

InChIKey

MQBFFYQCZCKSBX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21187-73-5

CID: 261859

Formula: C21H22O9

MW: 418.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	418.4
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	418.12638228
Monoisotopic Mass	418.12638228
Topological Polar Surface Area	102 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	610
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