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Chemical structure of Rhapontigenin

GC13470

Rhapontigenin

Also known as 5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol

Rhapontigenin is a potent and selective inactivator of cytochrome P4501A1 with an IC50 of 0·4μM· It is 400-fold and 23-fold more selective for P4501A1 than P4501A2 and P4501B1, respectively

ChemicalCAS500-65-2MW258.3FormulaC15H14O4
CAS number
500-65-2
Molecular weight
258.3
Formula
C15H14O4
Solubility
≤30mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide
InChIKey
PHMHDRYYFAYWEG-NSCUHMNNSA-N
Catalogue number
GC13470
Brand
GLPBIO
Computed properties PubChem CID 5320954 · XLogP 3.1 · TPSA 69.9 Ų · H-bond donors 3
XLogP
3.1
TPSA
69.9 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19

SMILES COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O)O

Computed descriptors from PubChem (CID 5320954), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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