| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2006 | 22 | Yes |
Popular Name: Hispidulin Hispidulin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1447-88-7 , [1447-88-7]
1447-88-7; C10058; Dinatin; Hispidulin; Scutellarein 6-methyl ether
4',5,7-Trihydroxy-6-methoxyflavone; NSC 122415
5,7-Dihydroxy-2-(4-hydroxy-phenyl)-6-methoxy-chromen-4-one
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one
| 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) | 2.48 | 1.6 | -13.33 | 3 | 6 | 0 | 100 | 300.266 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 2.17 | -45.84 | 2 | 6 | -1 | 103 | 299.258 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Minor pigment in Digitalis lanata leaves. Also present in Ambrosia hispida, Gaillardia fastigiata, Flourensia cernua , Scutellaria przewalskii and many other plant spp. | ZereneX Building Blocks |
| biological_use | Antineoplastic agent | ZereneX Building Blocks |
| mechanism | Antioxydant | ZereneX Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1610 | 0.37 | Binding ≤ 10μM |
| AA2AR-3-E | Adenosine A2a Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 6480 | 0.33 | Binding ≤ 10μM |
| GBRA1-1-E | GABA Receptor Alpha-1 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 1000 | 0.38 | Binding ≤ 10μM |
| GBRA2-1-E | GABA Receptor Alpha-2 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 1000 | 0.38 | Binding ≤ 10μM |
| GBRA3-1-E | GABA Receptor Alpha-3 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 1000 | 0.38 | Binding ≤ 10μM |
| GBRA4-1-E | GABA Receptor Alpha-4 Subunit (cluster #1 Of 7), Eukaryotic | Eukaryotes | 1000 | 0.38 | Binding ≤ 10μM |
| GBRA5-6-E | GABA Receptor Alpha-5 Subunit (cluster #6 Of 8), Eukaryotic | Eukaryotes | 1000 | 0.38 | Binding ≤ 10μM |
| GBRA6-6-E | GABA Receptor Alpha-6 Subunit (cluster #6 Of 8), Eukaryotic | Eukaryotes | 1000 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1_HUMAN | P14867 | GABA Receptor Alpha-1 Subunit, Human | 1000 | 0.38 | Binding ≤ 1μM |
| GBRA2_HUMAN | P47869 | GABA Receptor Alpha-2 Subunit, Human | 1000 | 0.38 | Binding ≤ 1μM |
| GBRA3_HUMAN | P34903 | GABA Receptor Alpha-3 Subunit, Human | 1000 | 0.38 | Binding ≤ 1μM |
| GBRA4_HUMAN | P48169 | GABA Receptor Alpha-4 Subunit, Human | 1000 | 0.38 | Binding ≤ 1μM |
| GBRA5_HUMAN | P31644 | GABA Receptor Alpha-5 Subunit, Human | 1000 | 0.38 | Binding ≤ 1μM |
| GBRA6_HUMAN | Q16445 | GABA Receptor Alpha-6 Subunit, Human | 1000 | 0.38 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 1610 | 0.37 | Binding ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 6480 | 0.33 | Binding ≤ 10μM |
| GBRA1_HUMAN | P14867 | GABA Receptor Alpha-1 Subunit, Human | 1000 | 0.38 | Binding ≤ 10μM |
| GBRA2_HUMAN | P47869 | GABA Receptor Alpha-2 Subunit, Human | 1000 | 0.38 | Binding ≤ 10μM |
| GBRA3_HUMAN | P34903 | GABA Receptor Alpha-3 Subunit, Human | 1000 | 0.38 | Binding ≤ 10μM |
| GBRA4_HUMAN | P48169 | GABA Receptor Alpha-4 Subunit, Human | 1000 | 0.38 | Binding ≤ 10μM |
| GBRA5_HUMAN | P31644 | GABA Receptor Alpha-5 Subunit, Human | 1000 | 0.38 | Binding ≤ 10μM |
| GBRA6_HUMAN | Q16445 | GABA Receptor Alpha-6 Subunit, Human | 1000 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| GABA A receptor activation | |
| Ligand-gated ion channel transport | |
| NGF-independant TRKA activation |
