Molecule

3-O-Acetylcrinine

AlkaPlorer ID: AK009660

Synonym: 'O-Acetylcrinine', 'Krepowine'

IUPAC Name: [(1S,13R,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-yl] acetate

Structure

SMILES: CC(=O)O[C@H]1C=C[C@@]23CCN(CC4=CC5=C(C=C42)OCO5)[C@@H]3C1

InChI: InChI=1S/C18H19NO4/c1-11(20)23-13-2-3-18-4-5-19(17(18)7-13)9-12-6-15-16(8-14(12)18)22-10-21-15/h2-3,6,8,13,17H,4-5,7,9-10H2,1H3/t13-,17+,18+/m0/s1

InChIKey: YEIGSYFTXGPBIB-MORSLUCNSA-N

Reference

Alkaloidal constituents of Crinum latifolium and Crinum bulbispermum (amaryllidaceae).

PubChem CID: 101935954

LOTUS: LTS0180812

SuperNatural Ⅲ: SN0448093-03

NPASS: NPC310782

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Crinum americanum	Crinum	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Elaeocarpus sphaericus	Elaeocarpus	Elaeocarpaceae	Oxalidales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Angelica hirsutiflora	Angelica	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Datura wrightii	Datura	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cinchona officinalis	Cinchona	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Anthoceros punctatus	Anthoceros	Anthocerotaceae	Anthocerotales	Anthocerotopsida	Streptophyta	Viridiplantae	Eukaryota
Lupinus holosericeus	Lupinus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Searsia leptodictya	Searsia	Anacardiaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helichrysum asperum	Helichrysum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Murraya paniculata	Murraya	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 313.35300000000007

TPSA？: 48.0

MolLogP？: 2.1326

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi