Molecule

Frangulanine

AlkaPlorer ID: AK031301

Synonym: 'Frangulanine', ''

IUPAC Name: (2S,3S)-2-(dimethylamino)-3-methyl-N-[(3S,4S,7S,10Z)-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: CC[C@H](C)[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\C2=CC=C(C=C2)O[C@H]1C(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)/b15-14-/t19-,22-,23-,24-,25-/m0/s1

InChIKey: ULQXKOIGVXLOOC-RJJCKBEYSA-N

Reference

New Components Including Cyclopeptides from Barks of <i>Christiana africana</i> DC. (Tiliaceae)

PubChem CID: 5281587

LOTUS: LTS0153155

SuperNatural Ⅲ: SN0373720-11

NPASS: NPC250147

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Stachys affinis	Stachys	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Peridinium foliaceum	Peridinium	Peridiniaceae	Peridiniales	Dinophyceae	None	None	Eukaryota
Methanocaldococcus jannaschii	Methanocaldococcus	Methanocaldococcaceae	Methanococcales	Methanococci	Euryarchaeota	None	Archaea
Christiana africana	Christiana	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fannia canicularis	Fannia	Fanniidae	Diptera	Insecta	Arthropoda	Metazoa	Eukaryota
Astragalus arguricus	Astragalus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Angylocalyx pynaertii	Angylocalyx	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Swartzia arborescens	Swartzia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Licania densiflora	Licania	Chrysobalanaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspergillus parvulus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Corydalis bungeana	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Silene italica	Silene	Caryophyllaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Clitoria ternatea	Clitoria	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Forsythia ovata	Forsythia	Oleaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 500.6840000000002

TPSA？: 99.77

MolLogP？: 3.182500000000002

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi