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Apigeninidin (chloride)

CAT: 0804-HY-118330-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118330-01Size:1 mg
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Description
Apigeninidin (Gesneridin) chloride, a 3‐deoxyanthocyanidin, is a fungal growth inhibitor. Apigeninidin chloride is a bioactive red biocolorant[1].
CAS Number
1151-98-0
Product Name Alternative
Gesneridin (chloride) ; Apigenidin (chloride)
UNSPSC
12171500
Target
Fungal
Type
Dye Reagents
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/apigeninidin-chloride.html
Solubility
10 mM in DMSO
Smiles
OC1=CC(O)=C2C=CC(C3=CC=C(C=C3)O)=[O+]C2=C1.[Cl-]
Molecular Formula
C15H11ClO4
Molecular Weight
290.70
References & Citations
Sorghum caudatum
Shipping Conditions
Room temperature
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Apigeninidin

a sorghum phytoalexin; structure given in first source

CAS Number1151-98-0
PubChem CID159360
IUPAC Name2-(4-hydroxyphenyl)chromenylium-5,7-diol chloride
Molecular FormulaC15H11ClO4
Molecular Weight290.70
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity301
SMILES
C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O.[Cl-]
InChI
InChI=1S/C15H10O4.ClH/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14;/h1-8H,(H2-,16,17,18);1H
InChIKey
GYQDOAKHUGURPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Apigeninidin
CAS: 1151-98-0
CID: 159360
Formula: C15H11ClO4
MW: 290.70
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight290.70
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass290.0345865
Monoisotopic Mass290.0345865
Topological Polar Surface Area61.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity301
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes