| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
Popular Name: 7-Hydroxy-4-phenylcoumarin 7-Hydroxy-4-phenylcoumarin
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 2555-30-8
| 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) | 3.23 | 0.81 | -10.39 | 1 | 3 | 0 | 50 | 238.242 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDH2-1-E | Aldehyde Dehydrogenase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1500 | 0.45 | Binding ≤ 10μM |
| ALDR-1-E | Aldose Reductase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 2400 | 0.44 | Binding ≤ 10μM |
| AOFA-4-E | Monoamine Oxidase A (cluster #4 Of 8), Eukaryotic | Eukaryotes | 500 | 0.49 | Binding ≤ 10μM |
| AOFB-4-E | Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic | Eukaryotes | 500 | 0.49 | Binding ≤ 10μM |
| DHB3-2-E | Estradiol 17-beta-dehydrogenase 3 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1000 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHB3_HUMAN | P37058 | Estradiol 17-beta-dehydrogenase 3, Human | 1000 | 0.47 | Binding ≤ 1μM |
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 500 | 0.49 | Binding ≤ 1μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 500 | 0.49 | Binding ≤ 1μM |
| ALDH2_HUMAN | P05091 | Aldehyde Dehydrogenase, Human | 1500 | 0.45 | Binding ≤ 10μM |
| ALDR_HUMAN | P15121 | Aldose Reductase, Human | 2400 | 0.44 | Binding ≤ 10μM |
| DHB3_HUMAN | P37058 | Estradiol 17-beta-dehydrogenase 3, Human | 1000 | 0.47 | Binding ≤ 10μM |
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 500 | 0.49 | Binding ≤ 10μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 500 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Androgen biosynthesis | |
| Enzymatic degradation of dopamine by COMT | |
| Enzymatic degradation of Dopamine by monoamine oxidase | |
| Ethanol oxidation | |
| Metabolism of serotonin | |
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 | |
| Norepinephrine Neurotransmitter Release Cycle | |
| Pregnenolone biosynthesis | |
| Synthesis of very long-chain fatty acyl-CoAs |
No pre-computed analogs available. Try a structural similarity search.