Products for Research Use Only
RegisterLogin

4-Demethyldeoxypodophyllotoxin

CAT: 1410-M37321-01Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1410-M37321-01Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
4-Demethyldeoxypodophyllotoxin, an aryl tetrahydronaphthalenyl lignan analog from the roots of Podophyllum peltatum, has anticancer activity and modulates the Chk-2 signaling pathway in MCF-7 breast cancer cells.
CAS Number
3590-93-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
384.38
Molecular Formula
C21H20O7
Notes
Research use only, not for human use.
Receptor
Chk

Chemical Information

4'-Demethyldeoxypodophyllotoxin

4'-demethyldeoxypodophyllotoxin is a member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 4-hydroxy-3,5-dimethoxyphenyl group. It has a role as an antioxidant, an antineoplastic agent, an immunosuppressive agent and a plant metabolite. It is a lignan, a member of phenols, a gamma-lactone, a furonaphthodioxole and a member of methoxybenzenes.

CAS Number3590-93-0
PubChem CID160705
IUPAC Name(5R,5aR,8aR)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Molecular FormulaC21H20O7
Molecular Weight384.4
XLogP2.8
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity583
SMILES
COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O
InChI
InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1
InChIKey
RFDMNXDDRXVJTM-RQUSPXKASA-N
Chemical Structure
2D Structure
2D structure of 4'-Demethyldeoxypodophyllotoxin
CAS: 3590-93-0
CID: 160705
Formula: C21H20O7
MW: 384.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass384.12090297
Monoisotopic Mass384.12090297
Topological Polar Surface Area83.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
M29033-014,4'-Methylenediphenol
M26540-014,4-Iminodiphenol
M32708-014- (4-chlorophenyl) piperidin-4-ol
M14432-014-Chloro-4'-hydroxybenzophenone
M31588-014,2-Dihydroxy-4-methoxychalcone
M29456-012',4,4',6'-Tetramethoxychalcone
M31592-014,2-Dihydroxy-4-methoxychalcone
M31967-014-Hydroxy-2,4-dimethoxychalcone
M22648-014- (4-Methoxyphenyl) -2-butanone
M31523-014,4-Di-O-methylisochamaejasmin

Alternative Products

CatalogName
BUP01457-014-Demethyldeoxypodophyllotoxin
AB34484’-Demethyldeoxypodophyllotoxin
RM-E151619-01Etoposide Impurity 19 (4′-Demethyldeoxypodophyllotoxin)
PC52154,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC64124,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-014,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-014,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-014,4',4'',4'''-Methanetetrayltetraphenol
PC4810-014,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-014,4,4,4',4',4'-Hexafluorovaline, ethyl ester

Popular Products