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Icaritin

CAT: 0572-TRC-I163700-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I163700-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
118525-40-9
Hazard Statement
No Data Available
Smiles
COc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2
Molecular Formula
C21 H20 O6
Molecular Weight
368.38
InChI
InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
Additionnal Information
IUPAC name: 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Shipping Conditions
Room Temperature

Chemical Information

Icaritin

Icaritin is a member of flavones.

CAS Number118525-40-9
PubChem CID5318980
IUPAC Name3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Molecular FormulaC21H20O6
Molecular Weight368.4
XLogP4.8
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity612
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)C
InChI
InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
InChIKey
TUUXBSASAQJECY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Icaritin
CAS: 118525-40-9
CID: 5318980
Formula: C21H20O6
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass368.12598835
Monoisotopic Mass368.12598835
Topological Polar Surface Area96.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity612
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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