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Chemical structure of 8-Hydroxybergapten

GC35203

8-Hydroxybergapten

Also known as 9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one

8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases

ChemicalCAS1603-47-0MW232.19FormulaC12H8O5
CAS number
1603-47-0
Molecular weight
232.19
Formula
C12H8O5
Solubility
DMSO : 100 mg/mL (430·68 mM; Need ultrasonic)
InChIKey
MVJHUMZXIJPVHV-UHFFFAOYSA-N
Catalogue number
GC35203
Brand
GLPBIO
Computed properties PubChem CID 3083726 · XLogP 1.9 · TPSA 68.9 Ų · H-bond donors 1
XLogP
1.9
TPSA
68.9 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
17

SMILES COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)O

Computed descriptors from PubChem (CID 3083726), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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