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Eriosematin

CAT: 0013-GTR19205923-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205923-02Size:5 mg
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Description
Eriosematin is a bioactive small molecule isolated from the roots of Flemingia philippinensis. It exhibits anti-proliferative and pro-apoptotic activities, making it a compound of interest for cancer research in both in vitro cell culture and in vivo preclinical studies.
CAS Number
168010-17-1
Field of Research
Cell Biology
Smiles
O=C1C (C (O) =C (C=CC (C) (C) O2) C2=C3C/C=C (C) \C) =C3OC=C1
Molecular Formula
C19H20O4
Molecular Weight
312.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Eriosematin
CAS Number168010-17-1
PubChem CID10358150
IUPAC Name5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Molecular FormulaC19H20O4
Molecular Weight312.4
XLogP4.6
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity568
SMILES
CC(=CCC1=C2C(=C(C3=C1OC=CC3=O)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C19H20O4/c1-11(2)5-6-13-17-12(7-9-19(3,4)23-17)16(21)15-14(20)8-10-22-18(13)15/h5,7-10,21H,6H2,1-4H3
InChIKey
NYFIMGDPCRCSAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eriosematin
CAS: 168010-17-1
CID: 10358150
Formula: C19H20O4
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass312.13615911
Monoisotopic Mass312.13615911
Topological Polar Surface Area55.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity568
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
TGA01017-01Eriosematin
MBS5791045Eriosematin A

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