Molecule

isothebaine

AlkaPlorer ID: AK048301

Synonym: '', '2,11-Dimethoxy-1-hydroxyaporphine', 'Isothebaine', '1-Hydroxy-2,11-dimethoxyaporphine'

IUPAC Name: (6aR)-2,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1-ol

SMILES: COC1=CC2=C3C(=C1O)C1=C(C=CC=C1OC)C[C@H]3[NH+](C)CC2

InChI: InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/p+1/t13-/m1/s1

InChIKey: RQCOQZNIQLKGTN-CYBMUJFWSA-O

PubChem CID: 6934825

LOTUS: LTS0238445

SuperNatural Ⅲ: SN0332208-01

NPASS: NPC274791

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Papaver pseudo-orientale	Papaver	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Berberis japonica	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stephania cephalantha	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Papaver orientale	Papaver	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cyclea barbata	Cyclea	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Thalictrum foetidum	Thalictrum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Berberis thunbergii	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 312.38900000000007

TPSA？: 43.13

MolLogP？: 1.7443999999999995

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi