YM-47522
Grundinformationen
- Standard-SMILES
CCC[C@@H](C)[C@H](OC(=O)/C=C/c1ccccc1)[C@H](C)[C@H](O)C/C=C/C=C\C(N)=O- InChIKey
OJAGQZQYWOJBHT-PKJHRQCFSA-N- Summenformel
- C24H33NO4
- Durchschnittliche Molmasse
- 399,5 g/mol
- Monoisotopische Masse
- 399,24095854
Überblick
YM-47522 is a cinnamate ester obtained by the formal condensation of the carboxy group of trans-cinnamic acid with the 9-hydroxy group of 7,9-dihydroxy-8,10-dimethyltrideca-2,4-dienamide (the 4R,5S,6R,7R,9E,11Z stereoisomer). It is obtained from the fermentation broth of Bacillus sp.YL-03709B and exhibits antifungal activity. It has a role as a metabolite, an antimicrobial agent and an antifungal agent. It is a primary carboxamide, a secondary alcohol, a cinnamate ester and an enamide.
Namen und Bezeichner
- Bevorzugter Name
- YM-47522
- IUPAC
- [(4R,5S,6R,7R,9E,11Z)-13-amino-7-hydroxy-4,6-dimethyl-13-oxotrideca-9,11-dien-5-yl] (E)-3-phenylprop-2-enoate
Namen und Synonyme
YM-47522CHEBI:66496(4R,5S,6R,7R,9E,11Z)-13-amino-7-hydroxy-4,6-dimethyl-13-oxotrideca-9,11-dien-5-yl (2E)-3-phenylprop-2-enoate((4R,5S,6R,7R,9E,11Z)-13-amino-7-hydroxy-4,6-dimethyl-13-oxotrideca-9,11-dien-5-yl) (E)-3-phenylprop-2-enoate[(4R,5S,6R,7R,9E,11Z)-13-Amino-7-hydroxy-4,6-dimethyl-13-oxotrideca-9,11-dien-5-yl] (E)-3-phenylprop-2-enoateYM 47522RefChem:195688CHEMBL524317Q27135099
Datenbank-Bezeichner
- ChEMBL
CHEMBL524317- ChEBI
CHEBI:66496- Nikkaji
- J746.418E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 89,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 575
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