Alpinone

CAT: 0013-GTR19279551-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19279551-02Size:10 mg

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Description

Alpinone is a naturally occurring flavonoid.

CAS Number

480-13-7

Smiles

O=C1C=2C (O[C@@H] ([C@H]1O) C3=CC=CC=C3) =CC (OC) =CC2O

Molecular Formula

C16H14O5

Molecular Weight

286.28

Notes

For research use only.

Chemical Information

Alpinone

Alpinone has been reported in Populus deltoides, Populus laurifolia, and other organisms with data available.

CAS Number	480-13-7
PubChem CID	5317747
IUPAC Name	3,5-dihydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular Formula	C16H14O5
Molecular Weight	286.28
XLogP	2.5
Topological Polar Surface Area	76
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	379

SMILES

COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC=CC=C3)O

InChI

InChI=1S/C16H14O5/c1-20-10-7-11(17)13-12(8-10)21-16(15(19)14(13)18)9-5-3-2-4-6-9/h2-8,15-17,19H,1H3

InChIKey

QPOCKDYYXFOBCM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 480-13-7

CID: 5317747

Formula: C16H14O5

MW: 286.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	286.28
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	286.08412354
Monoisotopic Mass	286.08412354
Topological Polar Surface Area	76 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	379
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PFA90649-01	Alpinone 3-acetate