Virginiamycin S1; 4'-Alcohol, N-de-Me
AlkaPlorer ID: AK062928
Synonym: Virginiamycin S2, Staphylomycin S2
IUPAC Name: N-(3-benzyl-12-ethyl-24-hydroxy-16-methyl-2,5,11,14,18,21-hexaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide
Structure
SMILES: CCC1NC(=O)C(NC(=O)C2=NC=CC=C2O)C(C)OC(=O)C(C2=CC=CC=C2)NC(=O)C2CC(O)CCN2C(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C1=O
InChI: InChI=1S/C42H49N7O10/c1-3-28-40(56)48-20-11-16-30(48)36(52)45-29(22-25-12-6-4-7-13-25)41(57)49-21-18-27(50)23-31(49)37(53)47-34(26-14-8-5-9-15-26)42(58)59-24(2)33(38(54)44-28)46-39(55)35-32(51)17-10-19-43-35/h4-10,12-15,17,19,24,27-31,33-34,50-51H,3,11,16,18,20-23H2,1-2H3,(H,44,54)(H,45,52)(H,46,55)(H,47,53)
InChIKey: LRSRCZBNIGNEHL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces virginiae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 811.8929999999998
TPSA？: 236.67
MolLogP？: 0.653600000000006
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|