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2,3-Dehydrokievitone

CAT: 0804-HY-N1653-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N1653-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2,3-Dehydrokievitone is a isoflavanone found in Erythrina sacleuxii[1].
CAS Number
74161-25-4
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-3-dehydrokievitone.html
Purity
99.09
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C1C(C2=CC=C(O)C=C2O)=COC3=C(C/C=C(C)\C)C(O)=CC(O)=C13
Molecular Formula
C20H18O6
Molecular Weight
354.35
References & Citations
[1]Yenesew A, et al. Two isoflavanones from the stem bark of Erythrina sacleuxii. Phytochemistry. 2000;55 (5) :457-459.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one

2',4',5,7-Tetrahydroxy-8-prenylisoflavone is a member of isoflavones.

CAS Number74161-25-4
PubChem CID5746354
IUPAC Name3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
Molecular FormulaC20H18O6
Molecular Weight354.4
XLogP4.2
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity593
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=C(C=C(C=C3)O)O)C
InChI
InChI=1S/C20H18O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3
InChIKey
RWDSADRZXTYPMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
CAS: 74161-25-4
CID: 5746354
Formula: C20H18O6
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP34.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass354.11033829
Monoisotopic Mass354.11033829
Topological Polar Surface Area107 Ų
Heavy Atom Count26
Formal Charge0
Complexity593
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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