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Cichoriin

CAT: 1410-M29290-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M29290-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cichoriin is a photosensitive compound, it could be used as herbal photosensitizing agent in treating benign breast tumor in rats.
CAS Number
531-58-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
340.28
Molecular Formula
C15H16O9
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Cichoriin

Cichoriin is a member of coumarins and a glycoside.

CAS Number531-58-8
PubChem CID442101
IUPAC Name6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Molecular FormulaC15H16O9
Molecular Weight340.28
XLogP-0.6
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity495
SMILES
C1=CC(=O)OC2=CC(=C(C=C21)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-4-8-6(3-7(9)17)1-2-11(18)22-8/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChIKey
WNBCMONIPIJTSB-TVKJYDDYSA-N
Chemical Structure
2D Structure
2D structure of Cichoriin
CAS: 531-58-8
CID: 442101
Formula: C15H16O9
MW: 340.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.28
XLogP3-0.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass340.07943208
Monoisotopic Mass340.07943208
Topological Polar Surface Area146 Ų
Heavy Atom Count24
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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