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Vitexicarpin 50mg

CAT: 0628-A12134-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A12134-50Size:50 mg
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CAS Number
479-91-4

Chemical Information

Casticin

Casticin is a tetramethoxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6, 7 and 4' have been replaced by methoxy groups. It has been isolated from Eremophila mitchellii. It has a role as an apoptosis inducer and a plant metabolite. It is a dihydroxyflavone and a tetramethoxyflavone. It is functionally related to a quercetagetin.

CAS Number479-91-4
PubChem CID5315263
IUPAC Name5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
Molecular FormulaC19H18O8
Molecular Weight374.3
XLogP3.1
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity576
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O
InChI
InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
InChIKey
PJQLSMYMOKWUJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Casticin
CAS: 479-91-4
CID: 5315263
Formula: C19H18O8
MW: 374.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.3
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass374.10016753
Monoisotopic Mass374.10016753
Topological Polar Surface Area104 Ų
Heavy Atom Count27
Formal Charge0
Complexity576
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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