Molecule

Acosmine

AlkaPlorer ID: AK319166

Synonym: None

IUPAC Name: 1-[5-[(1S,2R,8S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone

Structure

SMILES: CC(=O)N1C=C([C@@H]2[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]3CCCCN32)CCC1

InChI: InChI=1S/C22H35N3O/c1-16(26)23-11-6-7-17(14-23)22-19-13-18(20-8-3-5-12-25(20)22)15-24-10-4-2-9-21(19)24/h14,18-22H,2-13,15H2,1H3/t18-,19+,20+,21-,22+/m0/s1

InChIKey: HTZABNNPQGCYSI-AHJNKEMKSA-N

Reference

New quinolizidine and diaza-adamantane alkaloids from Acosmium dasycarpum (Vog.) Yakovlev—Fabaceae

PubChem CID: 163189091

LOTUS: LTS0120137

NPASS: NPC216682

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cercospora hayi	Cercospora	Mycosphaerellaceae	Mycosphaerellales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Boehmeria caudata	Boehmeria	Urticaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tephrosia tinctoria	Tephrosia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Chaenomeles japonica	Chaenomeles	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 357.54200000000026

TPSA？: 26.790000000000006

MolLogP？: 3.2399000000000022

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi