Jatrorrhizine

Compound Structure:

Synonyms:

2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol; Jatrorrhizine; neprotin; jateorrhizine; Jateorhizine; Yatrorizine; Neprotine; 3-Hydroxy-2,9,10-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium

Compound ID:

NMPC-1168

PubChem ID:

72323

Molecular Formula:

C20H20NO4+

Canonical SMILES:

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

InChIKey:

MXTLAHSTUOXGQF-UHFFFAOYSA-O

About the compound:

GHS Hazard Statements

H400 (97.44%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	338.4 g/mol
XLogP3-AA	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	338.13923312 g/mol
Monoisotopic Mass	338.13923312 g/mol
Topological Polar Surface Area	51.8Å²
Heavy Atom Count	25
Formal Charge	1
Complexity	461
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Enantia chlorantha

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