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Ophiopogonone A

CAT: 0013-GTR19221853Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221853Size:5 mg
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Description
Ophiopogonone A is a naturally occurring homoisoflavonoid compound isolated from Ophiopogon japonicus. It has demonstrated anti-inflammatory and antioxidant activities in vitro and is utilized in research exploring metabolic and cardiovascular diseases.
CAS Number
75239-62-2
Smiles
O=C1C2=C (O) C (=C (O) C=C2OC=C1CC3=CC=C4OCOC4=C3) C
Molecular Formula
C18H14O6
Molecular Weight
326.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ophiopogonone A

Ophiopogonone A is a homoflavonoid.

CAS Number75239-62-2
PubChem CID10087732
IUPAC Name3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methylchromen-4-one
Molecular FormulaC18H14O6
Molecular Weight326.3
XLogP3.5
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity532
SMILES
CC1=C(C2=C(C=C1O)OC=C(C2=O)CC3=CC4=C(C=C3)OCO4)O
InChI
InChI=1S/C18H14O6/c1-9-12(19)6-15-16(17(9)20)18(21)11(7-22-15)4-10-2-3-13-14(5-10)24-8-23-13/h2-3,5-7,19-20H,4,8H2,1H3
InChIKey
BBYSWXUKFBVXAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ophiopogonone A
CAS: 75239-62-2
CID: 10087732
Formula: C18H14O6
MW: 326.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.3
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass326.07903816
Monoisotopic Mass326.07903816
Topological Polar Surface Area85.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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