Bafilomycin C1; Amide
AlkaPlorer ID: AK290119
Synonym: Bafilomycin C1 amide
IUPAC Name: [2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl] 4-amino-4-oxobut-2-enoate
Structure
SMILES: COC1=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(OC(=O)C=CC(=N)O)C(C)C(C(C)C)O2)OC1=O
InChI: InChI=1S/C39H61NO11/c1-21(2)36-26(7)31(49-33(42)16-15-32(40)41)20-39(46,51-36)28(9)35(44)27(8)37-29(47-10)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-30(48-11)38(45)50-37/h12-16,18-19,21,24-29,31,34-37,43-44,46H,17,20H2,1-11H3,(H2,40,41)
InChIKey: FVEPTFOBWXDHAK-UHFFFAOYSA-N
Reference
New Cytotoxic Bafilomycin C1-amide Produced by Kitasatospora cheerisanensis
PubChem CID: 72951193
CAS: 695189-31-2
LOTUS: LTS0133256
COCONUT: CNP0352386.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Kitasatospora cheerisanensis | Kitasatospora | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 719.9130000000002
TPSA？: 185.06
MolLogP？: 5.335070000000004
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|