4-Aminobenzaldehyde
AlkaPlorer ID: AK020052
Synonym: None
IUPAC Name: 4-aminobenzaldehyde
Structure
SMILES: NC1=CC=C(C=O)C=C1
InChI: InChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2
InChIKey: VATYWCRQDJIRAI-UHFFFAOYSA-N
Reference
PubChem CID: 11158
CAS: 28107-09-7
LOTUS: LTS0221931
SuperNatural Ⅲ: SN0385303
NPASS: NPC38262
COCONUT: CNP0263657
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crinum asiaticum | Crinum | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 121.13899999999998
TPSA？: 43.09
MolLogP？: 1.0813
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 28183.8 | nM | None |
| Homo sapiens | Myeloperoxidase | Inhibition | nan | % | 10.1021/acsmedchemlett.6b00417 |