| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 20 | Yes |
Popular Name: Galangin Galangin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 548-83-4 , [548-83-4]
3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one
3,5,7-Trihydroxyflavone; 548-83-4; C10044; Galangin
Galangin with HPLC[548-83-4]; (3,5,7-Trihydroxyflavone, Norizalpinin)
Galangin [548-83-4]; (3,5,7-Trihydroxyflavone)
Galangin [548-83-4]; (3,5,7-Trihydroxyflavone, Norizalpinin)
| 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) | 2.65 | 2.03 | -10.35 | 3 | 5 | 0 | 91 | 270.24 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.65 | 2.85 | -56.02 | 2 | 5 | -1 | 94 | 269.232 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 214-216? | Alfa-Aesar |
| Melting_Point | 214-216° | Alfa-Aesar |
| MP | 216-220o C | Indofine |
| M.P. | 220-222 C | Indofine |
| MP | 220-222o C | Indofine |
| M.P. | 222 C | Indofine |
| therap | CYP1A1 inhibitor | MicroSource Spectrum |
| Patent Database Links | EP1530968; EP1808169; EP1847265; EP1925311; US2006135585; US2007191330; WO2007103427 | ChEBI |
| Target | NAD(P)H dehydrogenase [quinone] 1(P15559)&Bcl-2-like protein 10(Q9HD36)&Bcl-2-like protein 1(Q07817)&Multidrug resistance protein 1(P08183)&Multidrug resistance-associated protein 1(P33527)&Tumor necrosis factor receptor superfamily member 5(P25942)&Cytoc | Herbal Ingredients Targets |
| APPEARANCE | Pale yellow powder | Indofine |
| SOLUBILITY | Soluble in Chloroform | Indofine |
| UniProt Database Links | SOT5_ARATH | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 863 | 0.42 | Binding ≤ 10μM |
| AA2AR-3-E | Adenosine A2a Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 966 | 0.42 | Binding ≤ 10μM |
| AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 966 | 0.42 | Binding ≤ 10μM |
| AA3R-4-E | Adenosine Receptor A3 (cluster #4 Of 6), Eukaryotic | Eukaryotes | 3150 | 0.39 | Binding ≤ 10μM |
| CHLE-1-E | Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 6900 | 0.36 | Binding ≤ 10μM |
| CP1B1-1-E | Cytochrome P450 1B1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 25 | 0.53 | Binding ≤ 10μM |
| MDR3-1-E | P-glycoprotein 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5900 | 0.37 | Binding ≤ 10μM |
| XDH-2-E | Xanthine Dehydrogenase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1800 | 0.40 | Binding ≤ 10μM |
| CP1A1-1-E | Cytochrome P450 1A1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 77 | 0.50 | ADME/T ≤ 10μM |
| CP1A2-1-E | Cytochrome P450 1A2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 40 | 0.52 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 863 | 0.42 | Binding ≤ 1μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 966 | 0.42 | Binding ≤ 1μM |
| AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 966 | 0.42 | Binding ≤ 1μM |
| CP1B1_HUMAN | Q16678 | Cytochrome P450 1B1, Human | 25 | 0.53 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 863 | 0.42 | Binding ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 966 | 0.42 | Binding ≤ 10μM |
| AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 966 | 0.42 | Binding ≤ 10μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 3150 | 0.39 | Binding ≤ 10μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 6900 | 0.36 | Binding ≤ 10μM |
| CP1B1_HUMAN | Q16678 | Cytochrome P450 1B1, Human | 25 | 0.53 | Binding ≤ 10μM |
| MDR3_MOUSE | P21447 | P-glycoprotein 3, Mouse | 5900 | 0.37 | Binding ≤ 10μM |
| XDH_HUMAN | P47989 | Xanthine Dehydrogenase, Human | 1800 | 0.40 | Binding ≤ 10μM |
| CP1A1_HUMAN | P04798 | Cytochrome P450 1A1, Human | 77 | 0.50 | ADME/T ≤ 10μM |
| CP1A2_HUMAN | P05177 | Cytochrome P450 1A2, Human | 40 | 0.52 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Abacavir transmembrane transport | |
| ABC-family proteins mediated transport | |
| Adenosine P1 receptors | |
| Aflatoxin activation and detoxification | |
| Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2 | |
| Endogenous sterols | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| Methylation | |
| Neurotransmitter Clearance In The Synaptic Cleft | |
| NGF-independant TRKA activation | |
| PPARA activates gene expression | |
| Purine catabolism | |
| Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin | |
| Xenobiotics |
