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Chemical structure of Isobavachin

GC39036

Isobavachin

Also known as (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Isobavachin, an antioxidant isaolated from Psoralea morisiana with a prenyl group at position 8 of ring A, promotes neuronal differentiation and the potential role of its protein prenylation

ChemicalCAS31524-62-6MW324.37FormulaC20H20O4
CAS number
31524-62-6
Molecular weight
324.37
Formula
C20H20O4
Solubility
DMSO ： 100 mg/mL (308·29 mM; Need ultrasonic)
InChIKey
KYFBXCHUXFKMGQ-IBGZPJMESA-N
Catalogue number
GC39036
Brand
GLPBIO
Computed properties PubChem CID 193679 · XLogP 4.1 · TPSA 66.8 Ų · H-bond donors 2
XLogP
4.1
TPSA
66.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24

SMILES CC(=CCC1=C(C=CC2=C1O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)C

Computed descriptors from PubChem (CID 193679), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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