4′-Demethylpodophyllotoxin
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4′-Demethylpodophyllotoxin
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CAS No:
40505-27-9
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Formula:
C21H20O8
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Chemical Name:
4′-Demethylpodophyllotoxin
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Synonyms:
Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-,(5R,5aR,8aR,9R)-;Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-,[5R-(5α,5aβ,8aα,9α)]-;Podophyllotoxin,4′-demethyl-;(5R,5aR,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one;4′-Demethylpodophyllotoxin;4-Demethylpodophyllotoxin;4′-O-Demethylpodophyllotoxin
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CAS No:
Description
4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2].
4'-demethylpodophyllotoxin is an organic heterotetracyclic compound that is podophyllotoxin in which the methyl ether group at position 4 of the trimethoxyphenyl group has been cleaved to afford the corresponding phenol. It has a role as a metabolite. It is a furonaphthodioxole, an organic heterotetracyclic compound and a member of phenols.
Computed Properties
Molecular Weight:400.4
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:400.11581759
Monoisotopic Mass:400.11581759
Topological Polar Surface Area:104
Heavy Atom Count:29
Complexity:614
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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