| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2006 | 18 | Yes |
Popular Name: 1,3,5-trihydroxyxanthone; CPD-6882 1,3,5-trihydroxyxanthone; CPD-6882
Find On: PubMed — Wikipedia — Google
CAS Number: 6732-85-0
| 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) | 2.51 | 0.41 | -22.85 | 3 | 5 | 0 | 91 | 244.202 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 1.43 | -69.3 | 2 | 5 | -1 | 94 | 243.194 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 1.2 | -56.3 | 2 | 5 | -1 | 94 | 243.194 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA-4-E | Monoamine Oxidase A (cluster #4 Of 8), Eukaryotic | Eukaryotes | 3800 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 3800 | 0.42 | 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 |
