Molecule

Isocorydine; (S)-form, N-Me

AlkaPlorer ID: AK302792

Synonym: Menisperine, N-Methylisocorydine, Chakranine

IUPAC Name: 1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol

SMILES: COC1=C(O)C2=C(C=C1)CC1C3=C(C=C(OC)C(OC)=C23)CC[N+]1(C)C

InChI: InChI=1S/C21H25NO4/c1-22(2)9-8-13-11-16(25-4)21(26-5)19-17(13)14(22)10-12-6-7-15(24-3)20(23)18(12)19/h6-7,11,14H,8-10H2,1-5H3/p+1

InChIKey: XQINTCORIZHGFD-UHFFFAOYSA-O

PubChem CID: 30358

CAS: 25342-82-9

LOTUS: LTS0076303

NPASS: NPC306555

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Legnephora moorei	Legnephora	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cryptocarya triplinervis	Cryptocarya	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	None	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	None	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cryptocarya angulata	Cryptocarya	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phellodendron amurense	Phellodendron	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 356.4420000000001

TPSA？: 47.92

MolLogP？: 3.314700000000002

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Panel NCI-60 (60 carcinoma cell lines)	GI50	41.0	nM	10.1021/jm049838d