4-Aminobutanoic acid; N-(3,4-Dihydroxybenzoyl), Me ester
AlkaPlorer ID: AK066078
Synonym: Methyl 4-(3,4-dihydroxybenzoylamino)butanoate
IUPAC Name: methyl 4-[(3,4-dihydroxybenzoyl)amino]butanoate
Structure
SMILES: COC(=O)CCCN=C(O)C1=CC=C(O)C(O)=C1
InChI: InChI=1S/C12H15NO5/c1-18-11(16)3-2-6-13-12(17)8-4-5-9(14)10(15)7-8/h4-5,7,14-15H,2-3,6H2,1H3,(H,13,17)
InChIKey: NCUSLXOBXZICBK-UHFFFAOYSA-N
Reference
Antioxidant metabolites from marine alga-derived fungus Aspergillus wentii EN-48
PubChem CID: 102218164
LOTUS: LTS0037576
COCONUT: CNP0312060
{NPAtlas: NPA005067
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Aspergillus wentii | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 253.25400000000005
TPSA？: 99.35
MolLogP？: 1.3556
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|