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Chemical structure of 8-Geranyloxypsoralen

GC35201

8-Geranyloxypsoralen

Also known as 9-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one

8-Geranyloxypsoralen is a furanocoumarin isolated from grapefruit, acts as a potent inhibitor of P450 3A4 (CYP3A4) with an IC50 of 3·93 μM

ChemicalCAS7437-55-0MW338.4FormulaC21H22O4
CAS number
7437-55-0
Molecular weight
338.4
Formula
C21H22O4
Solubility
Soluble in DMSO
InChIKey
SOVNCTNQAWWYAQ-OQLLNIDSSA-N
Catalogue number
GC35201
Brand
GLPBIO
Computed properties PubChem CID 5317564 · XLogP 5.3 · TPSA 48.7 Ų · H-bond donors 0
XLogP
5.3
TPSA
48.7 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25

SMILES CC(=CCC/C(=C/COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C)C

Computed descriptors from PubChem (CID 5317564), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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