Norbelladine
AlkaPlorer ID: AK109161
Synonym: 4-[[[2-(4-Hydroxyphenyl)ethyl]amino]methyl]-1,2-benzenediol, 4-[[(p-Hydroxyphenethyl)amino]methyl]pyrocatechol, N-(3,4-Dihydroxybenzyl)tyramine
IUPAC Name: 4-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzene-1,2-diol
Structure
SMILES: OC1=CC=C(CCNCC2=CC(O)=C(O)C=C2)C=C1
InChI: InChI=1S/C15H17NO3/c17-13-4-1-11(2-5-13)7-8-16-10-12-3-6-14(18)15(19)9-12/h1-6,9,16-19H,7-8,10H2
InChIKey: YJYUDTAJVLORNV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leucojum aestivum | Leucojum | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | None | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 259.305
TPSA？: 72.72
MolLogP？: 2.1357
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cyclooxygenase-1 | Inhibition | 51.0 | % | 10.1016/j.bmcl.2014.10.051 |
| Homo sapiens | Cyclooxygenase-2 | Inhibition | 25.0 | % | 10.1016/j.bmcl.2014.10.051 |
| Homo sapiens | Nuclear factor NF-kappa-B p65 subunit | Inhibition | 23.0 | % | 10.1016/j.bmcl.2014.10.051 |
| None | No relevant target | Activity | 33.0 | % | 10.1016/j.bmcl.2014.10.051 |
| None | No relevant target | Activity | nan | None | 10.1016/j.bmcl.2014.10.051 |