BZR-Cotoxin I
AlkaPlorer ID: AK022873
Synonym: None
IUPAC Name: 18-butan-2-yl-24-(1-hydroxyethyl)-9-(hydroxymethyl)-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-6,15,27-tri(propan-2-yl)-1,7-dioxa-4,10,13,16,19,22,25-heptazacycloheptacosane-2,5,8,11,14,17,20,23,26-nonone
Structure
SMILES: CCC(C)C1C(=O)N(C)C(C(C)C)C(=O)N(C)C(CC(C)C)C(O)=NC(CO)C(=O)OC(C(C)C)C(=O)N(C)C(C)C(=O)OC(C(C)C)C(=O)N(C)C(C(C)O)C(O)=NC(CC(C)C)C(=O)N1C
InChI: InChI=1S/C48H85N7O13/c1-20-29(12)36-44(62)53(17)35(26(6)7)43(61)52(16)34(22-25(4)5)40(58)50-33(23-56)48(66)68-38(27(8)9)45(63)51(15)30(13)47(65)67-39(28(10)11)46(64)55(19)37(31(14)57)41(59)49-32(21-24(2)3)42(60)54(36)18/h24-39,56-57H,20-23H2,1-19H3,(H,49,59)(H,50,58)
InChIKey: NZTGVGORBGCOFL-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: 968.244
TPSA？: 259.79
MolLogP？: 3.1081000000000127
Number of H-Donors: 4
Number of H-Acceptors: 13
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|