Molecule

Songorine

AlkaPlorer ID: AK013285

Synonym: None

IUPAC Name: (1R,2R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one

Structure

SMILES: C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](CC2=O)[C@]12[C@@H]4C[C@H]3[C@H]1N(CC)C[C@]4(C)CC[C@@H]2O

InChI: InChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12-,13+,15-,16-,17+,18-,19-,20+,21+,22+/m1/s1

InChIKey: CBOSLVQFGANWTL-DVPYZRQCSA-N

Reference

Chemical constituents of the aerial parts of Aconitum kongboense

PubChem CID: 71456946

LOTUS: LTS0028840

NPASS: NPC238323

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aconitum japonicum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum carmichaelii	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum kusnezoffii	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum ciliare	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum brachypodum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 357.49400000000014

TPSA？: 60.77

MolLogP？: 2.0000000000000004

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Electrophorus electricus	Acetylcholinesterase	Inhibition	26.3	%	10.1016/j.bmc.2012.09.040
Equus caballus	Cholinesterase	Inhibition	1.01	%	10.1016/j.bmc.2012.09.040
Rattus norvegicus	Rattus norvegicus	ED50	7.3	mg.kg-1	10.1016/j.ejmech.2017.10.065
Rattus norvegicus	Rattus norvegicus	LD50	142.0	mg.kg-1	10.1016/j.ejmech.2017.10.065
Rattus norvegicus	Rattus norvegicus	Ratio LD50/ED50	19.0	None	10.1016/j.ejmech.2017.10.065