BZR-Cotoxin IV
AlkaPlorer ID: AK291377
Synonym: Cotoxin IV (Bipolaris zeicola)
IUPAC Name: 6,18-dibenzyl-3,15-di(butan-2-yl)-9,22-dimethyl-21-(2-methylpropyl)-24-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclotetracosane-2,5,8,11,14,17,20,23-octone
Structure
SMILES: CCC(C)C1N=C(O)C(CC2=CC=CC=C2)N=C(O)C(C)N=C(O)CN=C(O)C(C(C)CC)N=C(O)C(CC2=CC=CC=C2)N=C(O)C(CC(C)C)N(C)C(=O)C(C(C)C)OC1=O
InChI: InChI=1S/C47H69N7O9/c1-11-29(7)38-45(60)48-26-37(55)49-31(9)41(56)50-34(24-32-19-15-13-16-20-32)43(58)53-39(30(8)12-2)47(62)63-40(28(5)6)46(61)54(10)36(23-27(3)4)44(59)51-35(42(57)52-38)25-33-21-17-14-18-22-33/h13-22,27-31,34-36,38-40H,11-12,23-26H2,1-10H3,(H,48,60)(H,49,55)(H,50,56)(H,51,59)(H,52,57)(H,53,58)
InChIKey: HYRIAKASPMEAMO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bipolaris sorokiniana | Bipolaris | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
| Bipolaris zeicola | Bipolaris | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 876.1089999999999
TPSA？: 242.15
MolLogP？: 7.620400000000008
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|