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Ophiopogonone C

CAT: 0013-GTR19219168Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219168Size:2 mg
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Description
Ophiopogonone C is an isoflavone compound isolated from Ophiopogon japonicus tubers. Research indicates it exhibits anti-inflammatory and antioxidant activities, making it a candidate for in vitro studies in fields such as phytochemistry and metabolic disease research.
CAS Number
477336-77-9
Smiles
O=CC=1C (O) =C (C (O) =C2C (=O) C (=COC12) CC3=CC=C4OCOC4=C3) C
Molecular Formula
C19H14O7
Molecular Weight
354.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ophiopogonone C

Ophiopogonone C has been reported in Ophiopogon japonicus with data available.

CAS Number477336-77-9
PubChem CID11142766
IUPAC Name3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methyl-4-oxochromene-8-carbaldehyde
Molecular FormulaC19H14O7
Molecular Weight354.3
XLogP3.5
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity603
SMILES
CC1=C(C(=C2C(=C1O)C(=O)C(=CO2)CC3=CC4=C(C=C3)OCO4)C=O)O
InChI
InChI=1S/C19H14O7/c1-9-16(21)12(6-20)19-15(17(9)22)18(23)11(7-24-19)4-10-2-3-13-14(5-10)26-8-25-13/h2-3,5-7,21-22H,4,8H2,1H3
InChIKey
MNAZQDBGIVJQLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ophiopogonone C
CAS: 477336-77-9
CID: 11142766
Formula: C19H14O7
MW: 354.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.3
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass354.07395278
Monoisotopic Mass354.07395278
Topological Polar Surface Area102 Ų
Heavy Atom Count26
Formal Charge0
Complexity603
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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