Molecule

Bocconoline

AlkaPlorer ID: AK290828

Synonym: 12,13-Dihydro-1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridine-13-methanol, Dihydrochelerythrine-8-methanol, 8-(Hydroxymethyl)dihydrochelerythrine

IUPAC Name: (1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)methanol

Structure

SMILES: COC1=CC=C2C3=CC=C4C=C5OCOC5=CC4=C3N(C)C(CO)C2=C1OC

InChI: InChI=1S/C22H21NO5/c1-23-16(10-24)20-13(6-7-17(25-2)22(20)26-3)14-5-4-12-8-18-19(28-11-27-18)9-15(12)21(14)23/h4-9,16,24H,10-11H2,1-3H3

InChIKey: GKBDCSXIKLSKMH-UHFFFAOYSA-N

Reference

Studies on the Chemical Constituents of Xanthoxylum nitidum (ROXB.) D. C. (Fagara nitida ROXB.). II. Examination of the Chemical Constituents by Membrane Filtration: Identification of Magnoflorine, a Water-Soluble Quaternary Aporphine Alkaloid.

PubChem CID: 181121

CAS: 32906-88-0

LOTUS: LTS0132130

NPASS: NPC97405

COCONUT: CNP0227828.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Chelidonium	Cerambycidae	Coleoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Zanthoxylum nitidum	Zanthoxylum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Macleaya cordata	Macleaya	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Glaucium flavum	Glaucium	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Chelidonium	Cerambycidae	Coleoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 379.4120000000001

TPSA？: 60.39

MolLogP？: 3.735900000000002

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	Unchecked	Activity	nan	None	10.1016/j.bmc.2020.115732
None	Unchecked	log(ratio)	-0.85	None	10.1016/j.bmc.2020.115732
None	Unchecked	log(ratio)	-0.73	None	10.1016/j.bmc.2020.115732