Molecule

Higenamine; (S)-form, O6,N,N-Tri-Me

AlkaPlorer ID: AK300417

Synonym: (+)-Magnocurarine

IUPAC Name: 1-[(4-hydroxyphenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-olate

SMILES: COC1=CC2=C(C=C1[O-])C(CC1=CC=C(O)C=C1)[N+](C)(C)CC2

InChI: InChI=1S/C19H23NO3/c1-20(2)9-8-14-11-19(23-3)18(22)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H-,21,22)

InChIKey: CLWOXNLVWMXBRD-UHFFFAOYSA-N

PubChem CID: 163189741

CAS: 6801-40-7

LOTUS: LTS0107761

NPASS: NPC484288

COCONUT: CNP0420458.1

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Magnolia sprengeri	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Magnolia coco	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gyrocarpus americanus	Gyrocarpus	Hernandiaceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Litsea cubeba	Litsea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Magnolia obovata	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Magnolia rostrata	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Magnolia officinalis	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 313.3970000000001

TPSA？: 52.52

MolLogP？: 2.3907000000000007

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	NON-PROTEIN TARGET	Activity	26.1	%	10.1021/acs.jnatprod.9b01083