BZR-cotoxin IV
AlkaPlorer ID: AK097802
Synonym: None
IUPAC Name: (3S,6S,9R,15S,18S,21S,24S)-6,18-dibenzyl-3,15-bis[(2S)-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: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H](C)N=C(O)CN=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC(C)C)N(C)C(=O)[C@H](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)/t29-,30-,31+,34-,35-,36-,38-,39-,40-/m0/s1
InChIKey: HYRIAKASPMEAMO-VKJNQXOZSA-N
Reference
PubChem CID: 139586891
LOTUS: LTS0237073
SuperNatural Ⅲ: SN0139047-01
{NPAtlas: NPA013699
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| 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 |
|---|