5-Hydroxy-3-methyl-2-pentenoic acid; (E)-form, Ac, [2-(methoxycarbonyl)ethyl]amide
AlkaPlorer ID: AK301534
Synonym: Pestalotiopamide D
IUPAC Name: methyl 3-[[(E)-5-acetyloxy-3-methylpent-2-enoyl]amino]propanoate
Structure
SMILES: COC(=O)CCN=C(O)/C=C(\C)CCOC(C)=O
InChI: InChI=1S/C12H19NO5/c1-9(5-7-18-10(2)14)8-11(15)13-6-4-12(16)17-3/h8H,4-7H2,1-3H3,(H,13,15)/b9-8+
InChIKey: NOWKIWQXOOQBSG-CMDGGOBGSA-N
Reference
PubChem CID: 52920718
CAS: 1262976-69-1
LOTUS: LTS0001098
SuperNatural Ⅲ: SN0251359-01
{NPAtlas: NPA005913
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: 257.286
TPSA？: 85.19
MolLogP？: 1.4055
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|