Molecule

None

AlkaPlorer ID: AK318507

Synonym: None

IUPAC Name: (3S,7R,11S,15R)-3,11-bis(2-amino-4,5-dihydro-1H-imidazol-5-yl)-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione

Structure

SMILES: C[C@@H]1CCC[C@@H](C2CNC(=N)N2)C(=O)OC[C@H](C)CCC[C@@H](C2CNC(=N)N2)C(=O)OC1

InChI: InChI=1S/C22H38N6O4/c1-13-5-3-7-15(17-9-25-21(23)27-17)20(30)32-12-14(2)6-4-8-16(19(29)31-11-13)18-10-26-22(24)28-18/h13-18H,3-12H2,1-2H3,(H3,23,25,27)(H3,24,26,28)/t13-,14-,15+,16+,17?,18?/m1/s1

InChIKey: CGGAHJGHSHWGLE-PRONPTRCSA-N

Reference

Mass spectrometry of bisbenzylisoquinoline alkaloids. Part I. Alkaloids derived from coclaurine units joined tail-to-tail

PubChem CID: 10456429

NPASS: NPC134090

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Chamaecrista absus	Chamaecrista	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 450.5840000000003

TPSA？: 148.42

MolLogP？: 0.9239400000000042

Number of H-Donors: 6

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi