5-Hydroxy-3-methyl-2-pentenoic acid; (E)-form, Ac, [3-(methoxycarbonyl)propyl]amide
AlkaPlorer ID: AK301535
Synonym: Pestalotiopamide C
IUPAC Name: methyl 4-[[(E)-5-acetyloxy-3-methylpent-2-enoyl]amino]butanoate
Structure
SMILES: COC(=O)CCCN=C(O)/C=C(\C)CCOC(C)=O
InChI: InChI=1S/C13H21NO5/c1-10(6-8-19-11(2)15)9-12(16)14-7-4-5-13(17)18-3/h9H,4-8H2,1-3H3,(H,14,16)/b10-9+
InChIKey: YJAKSKSMUOXRHW-MDZDMXLPSA-N
Reference
PubChem CID: 52920654
CAS: 1263054-82-5
LOTUS: LTS0153076
SuperNatural Ⅲ: SN0451755-01
{NPAtlas: NPA016999
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pestalotiopsis sp. | Pestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Pestalotiopsis sp. JCM2A4 | Pestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 271.313
TPSA？: 85.19
MolLogP？: 1.7956
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|