| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2006 | 18 | Yes |
Popular Name: 7-Hydroxyflavone 7-Hydroxyflavone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6665-86-7 , [6665-86-7]
6665-86-7; 7-Hydroxy-2-phenyl-4-benzopyrone; 7-Hydroxyflavone; C11264
7-hydroxy-2-phenyl-4-benzopyrone; 7-hydroxyflavone; CPD-8141
| 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 | 5.46 | -9.75 | 1 | 3 | 0 | 50 | 238.242 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 5.51 | -42.73 | 0 | 3 | -1 | 53 | 237.234 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P. | 240-242 C | Indofine |
| MP | 241-242o C | Indofine |
| Melting_Point | 245-247? | Alfa-Aesar |
| Melting_Point | 245-247° | Alfa-Aesar |
| MP | 246 | TCI |
| therap | antifungal, analgesic | MicroSource Spectrum |
| SOLUBILITY | Clear solution in Methanol | Indofine |
| APPEARANCE | Off white crystals | Indofine |
| SOLUBILITY | Soluble in Methanol | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 3030 | 0.43 | Binding ≤ 10μM |
| AA2AR-3-E | Adenosine A2a Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 2680 | 0.43 | Binding ≤ 10μM |
| AOFA-4-E | Monoamine Oxidase A (cluster #4 Of 8), Eukaryotic | Eukaryotes | 120 | 0.54 | Binding ≤ 10μM |
| AOFB-4-E | Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic | Eukaryotes | 120 | 0.54 | Binding ≤ 10μM |
| CP19A-3-E | Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 31 | 0.58 | Binding ≤ 10μM |
| DHB1-1-E | Estradiol 17-beta-dehydrogenase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5250 | 0.41 | Binding ≤ 10μM |
| CP1A2-1-E | Cytochrome P450 1A2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 240 | 0.51 | ADME/T ≤ 10μM |
| Z104301-4-O | GABA-A Receptor; Anion Channel (cluster #4 Of 8), Other | Other | 4200 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP19A_HUMAN | P11511 | Cytochrome P450 19A1, Human | 30.5 | 0.58 | Binding ≤ 1μM |
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 120 | 0.54 | Binding ≤ 1μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 120 | 0.54 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 3030 | 0.43 | Binding ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 2680 | 0.43 | Binding ≤ 10μM |
| CP19A_HUMAN | P11511 | Cytochrome P450 19A1, Human | 30.5 | 0.58 | Binding ≤ 10μM |
| DHB1_HUMAN | P14061 | Estradiol 17-beta-dehydrogenase 1, Human | 5250 | 0.41 | Binding ≤ 10μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 4200 | 0.42 | Binding ≤ 10μM |
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 120 | 0.54 | Binding ≤ 10μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 120 | 0.54 | Binding ≤ 10μM |
| CP1A2_HUMAN | P05177 | Cytochrome P450 1A2, Human | 240 | 0.51 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| Aflatoxin activation and detoxification | |
| Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2 | |
| Endogenous sterols | |
| Enzymatic degradation of dopamine by COMT | |
| Enzymatic degradation of Dopamine by monoamine oxidase | |
| Estrogen biosynthesis | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| Metabolism of serotonin | |
| Methylation | |
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 | |
| NGF-independant TRKA activation | |
| Norepinephrine Neurotransmitter Release Cycle | |
| Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| The canonical retinoid cycle in rods (twilight vision) |
