Thiocillin I; 26-Me ether
AlkaPlorer ID: AK315991
Synonym: Thiocillin II
IUPAC Name: None
Structure
SMILES: C/C=C1\NC(=O)C(C(C)O)NC(=O)C2=CSC(=N2)C2=CC=C(C3=NC(C4=NC(C(=O)N/C(=C/C)C(=O)NCC(C)O)=CS4)=CS3)N=C2C2=CSC(=N2)C(C(C)OC)NC(=O)C2=CSC(=N2)C(C(C)(C)O)NC(=O)C2=CSC1=N2
InChI: InChI=1S/C49H51N13O10S6/c1-9-24(37(65)50-13-20(3)63)52-38(66)28-16-75-46(57-28)32-19-76-45(59-32)26-12-11-23-35(51-26)27-14-77-47(54-27)34(22(5)72-8)61-40(68)30-18-78-48(58-30)36(49(6,7)71)62-41(69)31-17-74-44(56-31)25(10-2)53-42(70)33(21(4)64)60-39(67)29-15-73-43(23)55-29/h9-12,14-22,33-34,36,63-64,71H,13H2,1-8H3,(H,50,65)(H,52,66)(H,53,70)(H,60,67)(H,61,68)(H,62,69)/b24-9+,25-10-
InChIKey: UJNDUGQLLYFVMS-BCTCXFRGSA-N
Reference
CAS: 59979-02-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus badius | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
| Bacillus cereus | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1174.43
TPSA？: 334.74999999999994
MolLogP？: 5.337000000000006
Number of H-Donors: 9
Number of H-Acceptors: 23
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|