Kanzonol E

CAT: 1407-AB3565Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1407-AB3565Size:5 mg

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CAS Number

155233-21-9

Purity

97% (HPLC)

Molecular Formula

C25H24O4

Molecular Weight

388.46

Chemical Information

Kanzonol E

Kanzonol E is a member of flavones.

CAS Number	155233-21-9
PubChem CID	15516846
IUPAC Name	2-(2,2-dimethylchromen-6-yl)-7-hydroxy-6-(3-methylbut-2-enyl)chromen-4-one
Molecular Formula	C25H24O4
Molecular Weight	388.5
XLogP	5.7
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	29
Formal Charge	0
Complexity	727

SMILES

CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC4=C(C=C3)OC(C=C4)(C)C)C

InChI

InChI=1S/C25H24O4/c1-15(2)5-6-16-12-19-21(27)14-23(28-24(19)13-20(16)26)17-7-8-22-18(11-17)9-10-25(3,4)29-22/h5,7-14,26H,6H2,1-4H3

InChIKey

YQCBVKUBTQVHOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 155233-21-9

CID: 15516846

Formula: C25H24O4

MW: 388.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.5
XLogP3	5.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	388.16745924
Monoisotopic Mass	388.16745924
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	727
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes