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Kuraridine

CAT: 0926-JBA98125-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-JBA98125-02Size:25 mg
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CAS Number
34981-25-4
MDL Number
MFCD21333218
Smiles
C1=CC=C (C=C1) C2=C (C (=O) C3=C (N2) C=CC=C3Cl) C (=O) O
Molecular Formula
C26H30O6
Molecular Weight
438.5 g/mol
Controlled
No

Chemical Information

Kuraridin

Kuraridin has been reported in Sophora flavescens with data available.

CAS Number34981-25-4
PubChem CID44428631
IUPAC Name(E)-1-[2,4-dihydroxy-6-methoxy-3-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
Molecular FormulaC26H30O6
Molecular Weight438.5
XLogP6.5
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity694
SMILES
CC(=CC[C@H](CC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O)C(=C)C)C
InChI
InChI=1S/C26H30O6/c1-15(2)6-7-18(16(3)4)12-20-23(30)14-24(32-5)25(26(20)31)21(28)11-9-17-8-10-19(27)13-22(17)29/h6,8-11,13-14,18,27,29-31H,3,7,12H2,1-2,4-5H3/b11-9+/t18-/m1/s1
InChIKey
PIAPWPAWQGDOMN-SXAWMYDMSA-N
Chemical Structure
2D Structure
2D structure of Kuraridin
CAS: 34981-25-4
CID: 44428631
Formula: C26H30O6
MW: 438.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP36.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass438.20423867
Monoisotopic Mass438.20423867
Topological Polar Surface Area107 Ų
Heavy Atom Count32
Formal Charge0
Complexity694
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8206-1Kuraridine

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