Molecule

Grisabine; O12-De-Me

AlkaPlorer ID: AK290498

Synonym: Magnoline, Grisabutine

IUPAC Name: 1-[[4-[2-hydroxy-5-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

Structure

SMILES: COC1=C(O)C=C2C(=C1)CCN(C)C2CC1=CC=C(OC2=CC(CC3C4=CC(O)=C(OC)C=C4CCN3C)=CC=C2O)C=C1

InChI: InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3

InChIKey: FDABVSXGAMFQQH-UHFFFAOYSA-N

Reference

Evaluation of the Anti-Plasmodial Activity of Bisbenzylisoquinoline Alkaloids from Abuta grandifolia

PubChem CID: 362563

CAS: 485-18-7

LOTUS: LTS0229024

NPASS: NPC102332

COCONUT: CNP0176880.2

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Magnolia salicifolia	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Magnolia kobus	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Magnolia sprengeri	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Magnolia denudata	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Magnolia biondii	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Abuta	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Abuta	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 596.7240000000004

TPSA？: 94.86

MolLogP？: 6.156300000000008

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi