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Sinopodophylline B

CAT: 0804-HY-N13118-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N13118-01Size:1 mg
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Description
Sinopodophylline B (compound 2) is a flavonoid glycoside compound that is cytotoxic to breast cancer cells. For example, the IC50 of Sinopodophylline B is 1.5 μM (T47D) and 44.2 μM (MDA-MB-231), respectively[1].
CAS Number
1369959-47-6
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
CANCER
Assay Protocol
https://www.medchemexpress.com/sinopodophylline-b.html
Smiles
COC1=C(C2=CC=C(O)C(O)=C2)OC3=C(C/C=C(C)\C)C(O)=CC(O)=C3C1=O
Molecular Formula
C21H20O7
Molecular Weight
384.38
References & Citations
[1]Flavonoids isolated from Sinopodophylli Fructus and their bioactivities against human breast cancer cells
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Sinopodophylline B
CAS Number1369959-47-6
PubChem CID153526352
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
Molecular FormulaC21H20O7
Molecular Weight384.4
XLogP4.4
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity651
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)C
InChI
InChI=1S/C21H20O7/c1-10(2)4-6-12-14(23)9-16(25)17-18(26)21(27-3)19(28-20(12)17)11-5-7-13(22)15(24)8-11/h4-5,7-9,22-25H,6H2,1-3H3
InChIKey
VUWRPEGSZKAYCY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sinopodophylline B
CAS: 1369959-47-6
CID: 153526352
Formula: C21H20O7
MW: 384.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.4
XLogP34.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass384.12090297
Monoisotopic Mass384.12090297
Topological Polar Surface Area116 Ų
Heavy Atom Count28
Formal Charge0
Complexity651
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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Alternative Products

CatalogName
TN8067-01Sinopodophylline B

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