Molecule

Aknadinine

AlkaPlorer ID: AK040695

Synonym: None

IUPAC Name: (1S,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one

SMILES: COC1=C(OC)[C@]23CCC4=C(C(O)=C(OC)C=C4)[C@]2(CCN3C)CC1=O

InChI: InChI=1S/C20H25NO5/c1-21-10-9-19-11-13(22)17(25-3)18(26-4)20(19,21)8-7-12-5-6-14(24-2)16(23)15(12)19/h5-6,23H,7-11H2,1-4H3/t19-,20+/m0/s1

InChIKey: XLWYWPDYNLZUJS-VQTJNVASSA-N

PubChem CID: 159966

CAS: 24148-86-5

LOTUS: LTS0175047

SuperNatural Ⅲ: SN0433805-03

NPASS: NPC196231

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Sargassum fulvellum	Sargassum	Sargassaceae	Fucales	Phaeophyceae	None	None	Eukaryota
Stephania elegans	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Doronicum grandiflorum	Doronicum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dictyodendrilla cavernosa	Dictyodendrilla	Dictyodendrillidae	Dendroceratida	Demospongiae	Porifera	Metazoa	Eukaryota
Conus gladiator	Conus	Conidae	Neogastropoda	Gastropoda	Mollusca	Metazoa	Eukaryota
Stephania japonica	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lithocarpus haipinii	Lithocarpus	Fagaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stephania hernandifolia	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sphaerophysa salsula	Sphaerophysa	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Oxytropis lanata	Oxytropis	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Populus balsamifera	Populus	Salicaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euphorbia characias	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Leibnitzia anandria	Leibnitzia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Moesziomyces antarcticus	Moesziomyces	Ustilaginaceae	Ustilaginales	Ustilaginomycetes	Basidiomycota	Fungi	Eukaryota

Molecule Weight: 359.4220000000002

TPSA？: 68.23

MolLogP？: 2.1363000000000003

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Delta opioid receptor	IC50	46000.0	nM	10.1021/np100009j
Homo sapiens	Kappa opioid receptor	Inhibition	0.0	%	10.1021/np100009j
Homo sapiens	Mu opioid receptor	Inhibition	68.0	%	10.1021/np100009j