Molecule

16-Epideacetylakuammiline

AlkaPlorer ID: AK071866

Synonym: 'Rhazinalinol', 'O-Deacetylakuammiline', '16-epi-Deacetylakuammiline', 'Rhazimol', 'Deacetylakuammiline', 'Ercinaminine'

IUPAC Name: methyl (1S,10S,12S,13E,18R)-13-ethylidene-18-(hydroxymethyl)-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate

Structure

SMILES: C/C=C1/CN2CC[C@]34C(=NC5=CC=CC=C53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC

InChI: InChI=1S/C21H24N2O3/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-18(20)17(23)10-15(13)21(20,12-24)19(25)26-2/h3-7,15,17,24H,8-12H2,1-2H3/b13-3-/t15-,17-,20+,21-/m0/s1

InChIKey: XLHUHYFKFFGUFE-OQTQPSEISA-N

Reference

Alstolenine, 19,20-dihydropolyneuridine and other minor alkaloids of the leaves of Alstonia venenata

PubChem CID: 138964044

LOTUS: LTS0155216

SuperNatural Ⅲ: SN0433294-06

NPASS: NPC140447

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Senecio halimifolius	Senecio	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Prismatomeris sessiliflora	Prismatomeris	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces albospinus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Coleus xanthanthus	Coleus	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lethariella sernanderi	Lethariella	Parmeliaceae	Lecanorales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Artemisia cana	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Callitris rhomboidea	Callitris	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Psilocybe baeocystis	Psilocybe	Strophariaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Alexandrium ostenfeldii	Alexandrium	Pyrocystaceae	Gonyaulacales	Dinophyceae	None	None	Eukaryota
Solaster endeca	Solaster	Solasteridae	Velatida	Asteroidea	Echinodermata	Metazoa	Eukaryota
Scutellaria glabrata	Scutellaria	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 352.43400000000014

TPSA？: 62.13

MolLogP？: 2.2163000000000004

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Kappa opioid receptor	Activity	18.2	%	10.1021/acs.jmedchem.2c01707
Homo sapiens	Kappa opioid receptor	Activity	61.5	%	10.1021/acs.jmedchem.2c01707
Homo sapiens	Mu opioid receptor	Activity	67.8	%	10.1021/acs.jmedchem.2c01707
Homo sapiens	Mu opioid receptor	Activity	85.0	%	10.1021/acs.jmedchem.2c01707