Molecule

(12bS)-4,11-dihydroxy-3,10-dimethoxy-6-methyl-7,8,12b,13-tetrahydro-5H-6-azatetraphen-6-ium

AlkaPlorer ID: AK318804

Synonym: None

IUPAC Name: (13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol

Structure

SMILES: COC1=C(O)C=C2C(=C1)CC[N+]1(C)CC3=C(O)C(OC)=CC=C3C[C@@H]21

InChI: InChI=1S/C20H23NO4/c1-21-7-6-13-9-19(25-3)17(22)10-14(13)16(21)8-12-4-5-18(24-2)20(23)15(12)11-21/h4-5,9-10,16H,6-8,11H2,1-3H3,(H-,22,23)/p+1/t16-,21?/m0/s1

InChIKey: LKLWVKCEYSPQHL-BJQOMGFOSA-O

Reference

PubChem CID: 9884460

NPASS: NPC172204

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Artemisia capillaris	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Artemisia annua	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Artemisia scoparia	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stephania tetrandra	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aristolochia kaempferi	Aristolochia	Aristolochiaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cissampelos pareira	Cissampelos	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 342.415

TPSA？: 58.92

MolLogP？: 2.9151000000000016

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT011655	COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2.C[SAH]>>COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3C[N+]1(C)CC2	enzymemap_26918