SCS-C003106
antimycin G
Pathway: Amino acids and Peptides | Polyketides
Superclass: Macrolides
Class: Antimycins
Chemical Structure
Loading 3D structure...
3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.
Source Information
Streptomyces sp.
(bacterium)
Kingdom
Bacillati
Phylum
Actinomycetota
Class
Actinomycetes
Order
Kitasatosporales
Family
Streptomycetaceae
Genus
Streptomyces
Species
NA
Hainan Island
DOI:
10.1515/znb-2016-0145
· Zeitschrift für Naturforschung B: Journal of Chemical Sciences
Drug-likeness (Lipinski Ro5)
Molecular Weight
520.6 Da
Threshold ≤ 500
ALogP
2.84
Threshold ≤ 5
H-Bond Donors
3
Threshold ≤ 5
H-Bond Acceptors
9
Threshold ≤ 10
1 violation (MW) — borderline drug-like
Chemical Properties
Molecular Formula:
C26H36N2O9
Molecular Weight:
520.5790 Da
SMILES:
CCCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC(C)=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(C)=O
InChIKey:
YMKURKCRVNFTPF-IMYFGAKASA-N
InChI:
InChI=1S/C26H36N2O9/c1-6-7-8-9-11-19-23(37-17(5)30)15(3)36-26(34)21(14(2)35-25(19)33)28-24(32)18-12-10-13-20(22(18)31)27-16(4)29/h10,12-15,19,21,23,31H,6-9,11H2,1-5H3,(H,27,29)(H,28,32)/t14-,15+,19-,21+,23+/m1/s1
Calculated Properties
ALogP:
2.844 lipophilicity
TPSA:
157.33 Ų polar surface area
H-Bond Donors:
3
H-Bond Acceptors:
9
Rotatable Bonds:
9
Ring Count:
2
(1 aromatic)
Chiral Centers:
5
Fsp³:
0.5769 fraction sp³ carbon
Database Information
Compound ID:
SCS-C003106
NPClassifier Pathway:
Amino acids and Peptides
Polyketides
NPClassifier Superclass:
Macrolides
NPClassifier Class:
Antimycins
Glycoside:
No
NPClassifier Status:
Classified
External Links:
General chemistry
Natural product databases
Biological Activity Data
No bioactivity data available for this compound.