4-Aminobutanoic acid; N-(3,4-Dihydroxybenzoyl)
AlkaPlorer ID: AK128434
Synonym: 4-(3,4-Dihydroxybenzoylamino)butanoic acid
IUPAC Name: 4-[(3,4-dihydroxybenzoyl)amino]butanoic acid
Structure
SMILES: O=C(O)CCCNC(=O)C1=CC(O)=C(O)C=C1
InChI: InChI=1S/C11H13NO5/c13-8-4-3-7(6-9(8)14)11(17)12-5-1-2-10(15)16/h3-4,6,13-14H,1-2,5H2,(H,12,17)(H,15,16)
InChIKey: XJBPHDJRRSZPMO-UHFFFAOYSA-N
Reference
Penipyrols A–B and peniamidones A–D from the mangrove derived Penicillium solitum GWQ-143
PubChem CID: 107727971
COCONUT: CNP0262948
{NPAtlas: NPA029898
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium solitum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Aspergillus wentii | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 239.22700000000003
TPSA？: 106.86
MolLogP？: 0.6923999999999999
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | No relevant target | IC50 | 4700.0 | nM | 10.1016/j.ejmech.2022.114117 |