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Chrysosplenol C

CAT: 0926-YAA37016-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-YAA37016-05Size:25 mg
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CAS Number
23370-16-3
Smiles
COC1=C (C=CC (=C1) C2=C (C (=O) C3=C (C (=C (C=C3O2) OC) O) O) OC) O
Molecular Formula
C18H16O8
Molecular Weight
360.3 g/mol
Controlled
No

Chemical Information

Chrysosplenol C

Chrysosplenol C is a trimethoxyflavone that is the 3,7,3'-trimethyl ether derivative of quercetagetin. It has a role as an antiviral agent, an antineoplastic agent and a plant metabolite. It is a trihydroxyflavone and a trimethoxyflavone. It is functionally related to a quercetagetin.

CAS Number23370-16-3
PubChem CID189065
IUPAC Name5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one
Molecular FormulaC18H16O8
Molecular Weight360.3
XLogP2.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity561
SMILES
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)O
InChI
InChI=1S/C18H16O8/c1-23-10-6-8(4-5-9(10)19)17-18(25-3)16(22)13-11(26-17)7-12(24-2)14(20)15(13)21/h4-7,19-21H,1-3H3
InChIKey
QQBSPLCHDUCBNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chrysosplenol C
CAS: 23370-16-3
CID: 189065
Formula: C18H16O8
MW: 360.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.3
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass360.08451746
Monoisotopic Mass360.08451746
Topological Polar Surface Area115 Ų
Heavy Atom Count26
Formal Charge0
Complexity561
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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