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Chrysosplenetin

CAT: 0931-TJS1159-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TJS1159-01Size:1 mg
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CAS Number
603-56-5
Target
Cytochromes P450, Ferroptosis, P-gp
Related Pathways
Apoptosis, Neuroscience, Membrane transporter/Ion channel, Metabolism
Purity
0.9853
Bioactivity
Chrysosplenetin is a metabolic inhibitor of artemisinin.
Smiles
COc1cc(ccc1O)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1OC
Molecular Formula
C19H18O8
Molecular Weight
374.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Chrysosplenetin

Chrysosplenetin is a tetramethoxyflavone that is the 3,6,7,3'-tetramethyl ether derivative of quercetagetin. It has a role as an antiviral agent and a plant metabolite. It is a dihydroxyflavone and a tetramethoxyflavone. It is functionally related to a quercetagetin.

CAS Number603-56-5
PubChem CID5281608
IUPAC Name5-hydroxy-2-(4-hydroxy-3-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=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O
InChI
InChI=1S/C19H18O8/c1-23-11-7-9(5-6-10(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
NBVTYGIYKCPHQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chrysosplenetin
CAS: 603-56-5
CID: 5281608
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

Alternative Products

CatalogName
462859Chrysosplenetin
412854Chrysosplenetin B

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