Berninamycin A; 1''-Deoxy
AlkaPlorer ID: AK290543
Synonym: Berninamycin B
IUPAC Name: None
Structure
SMILES: C=C(NC(=O)C(=C)NC(=O)C1=CC=C2C3=NC(=CS3)C(=O)NC(C(C)O)C(=O)N/C(=C/C)C3=NC(=C(C)O3)C(=O)NC(=C)C(=O)NC(C(C)C)C(=O)NC(=C)C3=NC(=C(C)O3)C(=O)NC(=C)C(=O)NC(=C)C3=NC(=CO3)C2=N1)C(N)=O
InChI: InChI=1S/C51H51N15O14S/c1-13-29-50-66-36(27(12)80-50)47(77)56-22(7)41(71)63-33(18(2)3)44(74)58-24(9)49-65-35(26(11)79-49)46(76)55-21(6)40(70)57-23(8)48-61-31(16-78-48)37-28(51-62-32(17-81-51)43(73)64-34(25(10)67)45(75)60-29)14-15-30(59-37)42(72)54-20(5)39(69)53-19(4)38(52)68/h13-18,25,33-34,67H,4-9H2,1-3,10-12H3,(H2,52,68)(H,53,69)(H,54,72)(H,55,76)(H,56,77)(H,57,70)(H,58,74)(H,60,75)(H,63,71)(H,64,73)/b29-13+
InChIKey: VFTYJPKNFPTPRA-VFLNYLIXSA-N
Reference
CAS: 58798-98-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces bernensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1130.1269999999995
TPSA？: 429.0899999999998
MolLogP？: 0.983440000000008
Number of H-Donors: 11
Number of H-Acceptors: 20
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|