Ustiloxin
AlkaPlorer ID: AK039042
Synonym: None
IUPAC Name: (2S,4S)-2-amino-5-[(S)-[(3R,4S,7S,10S,11R)-4-(carboxymethylcarbamoyl)-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-propan-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-13-yl]sulfinyl]-4-hydroxypentanoic acid
Structure
SMILES: CC[C@@]1(C)OC2=CC(=C([S@@](=O)C[C@@H](O)C[C@H](N)C(=O)O)C=C2O)[C@@H](O)[C@H](NC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C(=O)NCC(=O)O
InChI: InChI=1S/C28H43N5O12S/c1-6-28(4)23(26(41)31-10-19(36)37)33-24(39)20(12(2)3)32-25(40)21(30-5)22(38)14-8-17(45-28)16(35)9-18(14)46(44)11-13(34)7-15(29)27(42)43/h8-9,12-13,15,20-23,30,34-35,38H,6-7,10-11,29H2,1-5H3,(H,31,41)(H,32,40)(H,33,39)(H,36,37)(H,42,43)/t13-,15-,20-,21-,22+,23+,28+,46-/m0/s1
InChIKey: QRLBQXQEGMBXFM-IARZYCKVSA-N
Reference
Ustiloxin: a phytotoxin and a mycotoxin from false smuth balls on rice panicles
PubChem CID: 139583634
LOTUS: LTS0213039
{NPAtlas: NPA001934
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ustilaginoidea virens | Ustilaginoidea | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 673.7420000000001
TPSA？: 286.94
MolLogP？: -2.3283999999999905
Number of H-Donors: 10
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|