2-Amino-3-hydroxybenzoic acid; (3-Aminopropyl) ether
AlkaPlorer ID: AK142364
Synonym: 2-Amino-3-(aminopropyloxy)benzoic acid, Oscarellin
IUPAC Name: 2-amino-3-(3-aminopropoxy)benzoic acid
Structure
SMILES: NCCCOC1=CC=CC(C(=O)O)=C1N
InChI: InChI=1S/C10H14N2O3/c11-5-2-6-15-8-4-1-3-7(9(8)12)10(13)14/h1,3-4H,2,5-6,11-12H2,(H,13,14)
InChIKey: HZKYRFWMACKRST-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Oscarella | Oscarellidae | Homosclerophorida | Homoscleromorpha | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 210.23299999999995
TPSA？: 98.57
MolLogP？: 0.6946000000000003
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Proto-oncogene c-JUN | Inhibition | None | % | 10.1021/acs.jnatprod.6b00787 |
| Mus musculus | MAP kinase p38 | Inhibition | None | % | 10.1021/acs.jnatprod.6b00787 |
| Mus musculus | Mitogen-activated protein kinase 1 and 3 (ERK2 and ERK1) | Inhibition | None | % | 10.1021/acs.jnatprod.6b00787 |
| Mus musculus | NF-kappa-B inhibitor alpha | Inhibition | None | % | 10.1021/acs.jnatprod.6b00787 |
| Mus musculus | RAW264.7 | Activity | None | None | 10.1021/acs.jnatprod.6b00787 |
| Mus musculus | Transcription factor AP-1 | Inhibition | None | % | 10.1021/acs.jnatprod.6b00787 |
| Mus musculus | Transcription factor p65 | Inhibition | None | % | 10.1021/acs.jnatprod.6b00787 |
| None | Unchecked | Inhibition | None | % | 10.1021/acs.jnatprod.6b00787 |