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Chemical structure of Bergamottin

GC34132

Bergamottin

Also listed as Bergamottin (5-Geranoxypsoralen)

Bergamottin (5-Geranoxypsoralen) is a potent and competitive CYP1A1 inhibitor with a Ki of 10·703 nM

ChemicalCAS7380-40-7MW338.4FormulaC21H22O4
CAS number
7380-40-7
Molecular weight
338.4
Formula
C21H22O4
Solubility
DMSO: 50 mg/mL (147·75 mM); Water: < 0·1 mg/mL (insoluble)
InChIKey
DBMJZOMNXBSRED-OQLLNIDSSA-N
Catalogue number
GC34132
Brand
GLPBIO
Computed properties PubChem CID 5471349 · XLogP 5.6 · TPSA 48.7 Ų · H-bond donors 0
XLogP
5.6
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=CC(=O)OC2=CC3=C1C=CO3)/C)C

Computed descriptors from PubChem (CID 5471349), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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