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Chemical structure of Hydrastinine

GC38794

Hydrastinine

Also known as 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol

Hydrastinine is a major alkaloid constituent in goldenseal (Hydrastis canadensis)

ChemicalCAS6592-85-4MW207.23FormulaC11H13NO3
CAS number
6592-85-4
Molecular weight
207.23
Formula
C11H13NO3
Solubility
DMSO ： 250 mg/mL (1206·39 mM; Need ultrasonic); H2O ： 16·67 mg/mL (80·44 mM; ultrasonic and warming and heat to 60°C)
InChIKey
YOJQZPVUNUQTDF-UHFFFAOYSA-N
Catalogue number
GC38794
Brand
GLPBIO
Computed properties PubChem CID 3638 · XLogP 1.1 · TPSA 41.9 Ų · H-bond donors 1
XLogP
1.1
TPSA
41.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
15

SMILES CN1CCC2=CC3=C(C=C2C1O)OCO3

Computed descriptors from PubChem (CID 3638), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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