Molecule

6-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹?]hexadec-10-ene-3,7-dione

AlkaPlorer ID: AK318811

Synonym: None

IUPAC Name: (1R,4R,5S,6R,16R)-6-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione

Structure

SMILES: C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H]1C)[C@H]23

InChI: InChI=1S/C16H23NO5/c1-9-10(2)16(3,20)15(19)21-8-11-4-6-17-7-5-12(13(11)17)22-14(9)18/h4,9-10,12-13,20H,5-8H2,1-3H3/t9-,10+,12-,13-,16-/m1/s1

InChIKey: QPNKYNYIKKVVQB-RCJVZNENSA-N

Reference

Crotaleschenine, an Alkaloid of Crotalaria leschenaultii

PubChem CID: 21573658

LOTUS: LTS0072218

NPASS: NPC174065

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Mentha spicata	Mentha	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ambrosia confertiflora	Ambrosia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Callicarpa arborea	Callicarpa	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Crotalaria spectabilis	Crotalaria	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 309.362

TPSA？: 76.07

MolLogP？: 0.4925

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi