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Kaerophyllin

CAT: 0013-GTR19181217-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19181217-02Size:1 ml x 10 mM (in DMSO)
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Description
Kaerophyllin is a natural lignan from Chai Hu that blocks hepatic stellate cell activation induced by apoptotic vesicles. It demonstrates anti-fibrotic effects in vivo, protecting against TAA-induced liver injury and fibrosis by suppressing inflammation and HSC activation in rat models.
CAS Number
75590-33-9
Field of Research
Cell Biology
Smiles
C (=C/1\[C@@H] (CC=2C=C3C (=CC2) OCO3) COC1=O) \C4=CC (OC) =C (OC) C=C4
Molecular Formula
C21H20O6
Molecular Weight
368.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Kaerophyllin

Kaerophyllin has been reported in Bupleurum scorzonerifolium, Zanthoxylum petiolare, and other organisms with data available.

CAS Number75590-33-9
PubChem CID6440534
IUPAC Name(3E,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methylidene]oxolan-2-one
Molecular FormulaC21H20O6
Molecular Weight368.4
XLogP3.7
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity561
SMILES
COC1=C(C=C(C=C1)/C=C/2\[C@H](COC2=O)CC3=CC4=C(C=C3)OCO4)OC
InChI
InChI=1S/C21H20O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,8-10,15H,7,11-12H2,1-2H3/b16-8+/t15-/m0/s1
InChIKey
CSKOHFAJPKLSBP-MDNIKOHYSA-N
Chemical Structure
2D Structure
2D structure of Kaerophyllin
CAS: 75590-33-9
CID: 6440534
Formula: C21H20O6
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass368.12598835
Monoisotopic Mass368.12598835
Topological Polar Surface Area63.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity561
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5762640Kaerophyllin

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