Molecule

Consabatine

AlkaPlorer ID: AK071903

Synonym: ''

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (1S)-1-hydroxy-3-(3-methylbut-2-enyl)-4-oxocyclohex-2-ene-1-carboxylate

Structure

SMILES: CC(C)=CCC1=C[C@](O)(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)N3C)CCC1=O

InChI: InChI=1S/C20H29NO4/c1-13(2)4-5-14-12-20(24,9-8-18(14)22)19(23)25-17-10-15-6-7-16(11-17)21(15)3/h4,12,15-17,24H,5-11H2,1-3H3/t15-,16+,17+,20-/m0/s1

InChIKey: JMHTUVBKARXGPJ-XLSPSMHOSA-N

Reference

Tropane alkaloids with a unique type of acyl moiety from two convolvulus speciesfn1fn1Part 5 in the series Phytochemistry and Chemotaxonomy of the Convolvulaceae. For part 4, see ref. [1]. Presented in part at the 45th Annual Congress of the Society for Medicinal Plant Research, 1997, Regensburg, Germany.

LOTUS: LTS0171534

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Convolvulus sabatius	Convolvulus	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 347.4550000000001

TPSA？: 66.84

MolLogP？: 2.5315000000000003

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi