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Chemical structure of Jatrorrhizine hydroxide

GC60957

Jatrorrhizine hydroxide

Also known as 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol hydroxide

Jatrorrhizine?hydroxide is an alkaloid isolated from?Coptis chinensis with neuroprotective, antimicrobial, antiplasmodial and antioxidant activities

ChemicalCAS483-43-2MW355.38FormulaC20H21NO5
CAS number
483-43-2
Molecular weight
355.38
Formula
C20H21NO5
Solubility
Water： 5 mg/mL (14·07 mM); DMSO： 3·33 mg/mL (9·37 mM)
InChIKey
FLLCSIZPVWDZQO-UHFFFAOYSA-N
Catalogue number
GC60957
Brand
GLPBIO
Computed properties PubChem CID 12304700 · TPSA 52.8 Ų · H-bond donors 2 · H-bond acceptors 5
TPSA
52.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
26

SMILES COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC.[OH-]

Computed descriptors from PubChem (CID 12304700), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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