Destruxins; Destruxin B, NVal-De-Me
AlkaPlorer ID: AK294944
Synonym: Desmethyldestruxin B, 3-L-Valinedestruxin B
IUPAC Name: 16-butan-2-yl-10,11-dimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Structure
SMILES: CCC(C)C1N=C(O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCN=C(O)C(C)N(C)C(=O)C(C(C)C)N=C1O
InChI: InChI=1S/C29H49N5O7/c1-9-18(6)24-27(38)31-23(17(4)5)29(40)33(8)19(7)25(36)30-13-12-22(35)41-21(15-16(2)3)28(39)34-14-10-11-20(34)26(37)32-24/h16-21,23-24H,9-15H2,1-8H3,(H,30,36)(H,31,38)(H,32,37)
InChIKey: LKJMCPAAJZITNV-UHFFFAOYSA-N
Reference
Depsipeptides from Metarhizium anisopliae
PubChem CID: 3084477
CAS: 27482-48-0
LOTUS: LTS0154633
COCONUT: CNP0256591.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alternaria brassicae | Alternaria | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 579.7390000000003
TPSA？: 164.69000000000003
MolLogP？: 3.4947000000000044
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|