| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 22nd, 2006 | 20 | No |
Popular Name: 1,2,8-Trihydroxy-6-methoxy-9H-xanthen-9-one 1,2,8-Trihydroxy-6-methoxy-9H-xa…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 20882-75-1 , [20882-75-1]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.55 | 1.14 | -7.69 | 3 | 6 | 0 | 100 | 274.228 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 1.95 | -45.07 | 2 | 6 | -1 | 103 | 273.22 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 1.91 | -49.32 | 2 | 6 | -1 | 103 | 273.22 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA-4-E | Monoamine Oxidase A (cluster #4 Of 8), Eukaryotic | Eukaryotes | 8500 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 8500 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Enzymatic degradation of dopamine by COMT | |
| Enzymatic degradation of Dopamine by monoamine oxidase | |
| Metabolism of serotonin | |
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 | |
| Norepinephrine Neurotransmitter Release Cycle |
