Molecule

Asparagamine A

AlkaPlorer ID: AK481538

Synonym: None

IUPAC Name: 5-(9-but-1-enyl-4-methyl-2,14-dioxa-12-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene)-4-methoxy-3-methylfuran-2-one

Structure

SMILES: CCC=CC12C3CC4C5C(C)C(=C6OC(=O)C(C)=C6OC)OC5(O3)C1NCC42

InChI: InChI=1S/C22H27NO5/c1-5-6-7-21-13-9-23-20(21)22-15(12(13)8-14(21)27-22)10(2)17(28-22)18-16(25-4)11(3)19(24)26-18/h6-7,10,12-15,20,23H,5,8-9H2,1-4H3

InChIKey: OQWKLIFARYBYDS-UHFFFAOYSA-N

Reference

Structure and relative stereochemistry of a new polycyclic alkaloid, asparagamine A, showing anti-oxytocin activity, isolated from Asparagus racemosus

PubChem CID: 163105420

CAS: 156798-15-1

LOTUS: LTS0010438

COCONUT: CNP0425523.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Asparagus racemosus	Asparagus	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 385.4600000000001

TPSA？: 66.02000000000001

MolLogP？: 2.6269

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi