Molecule

Frangulanine

AlkaPlorer ID: AK298648

Synonym: 2-(Dimethylamino)-3-methyl-N-[3-(1-methylethyl)-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]pentanamide, Ceanothamine A, Daechuine S2

IUPAC Name: 2-(dimethylamino)-3-methyl-N-[7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide

Structure

SMILES: CCC(C)C(C(O)=NC1C(O)=NC(CC(C)C)C(O)=NC=CC2=CC=C(C=C2)OC1C(C)C)N(C)C

InChI: InChI=1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)

InChIKey: ULQXKOIGVXLOOC-UHFFFAOYSA-N

Reference

New peptide alkaloids from Hovenia dulcis and H. tomentella

PubChem CID: 574998

CAS: 25350-22-5

LOTUS: LTS0194172

COCONUT: CNP0382460.9

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Tomentella	Thelephoraceae	Thelephorales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Ceanothus americanus	Ceanothus	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euonymus europaeus	Euonymus	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hovenia dulcis	Hovenia	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Frangula	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 500.6840000000002

TPSA？: 110.24

MolLogP？: 5.703400000000006

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi