| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 25 | Yes |
Popular Name: yohimbic acid yohimbic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 207801-27-2 , 522-87-2 , 65-19-0 , [207801-27-2]
522-87-2; Prestwick_497; Yohimbinic acid monohydrate
Yohimbic Acid Monohydrate [522-87-2]
YOHIMBIC ACID MONOHYDRATE; [522-87-2]
| 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) | 2.60 | 8.77 | -69.14 | 3 | 5 | 0 | 81 | 340.423 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 6.65 | -56.91 | 2 | 5 | -1 | 79 | 339.415 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 267-268 °C (dec.)(lit.) | Indofine |
| Indications | erectile dysfunction | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2C-1-E | Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 19 | 0.43 | Binding ≤ 10μM |
| CP2D6-1-E | Cytochrome P450 2D6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6300 | 0.29 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 19 | 0.43 | Binding ≤ 1μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 19 | 0.43 | Binding ≤ 10μM |
| CP2D6_HUMAN | P10635 | Cytochrome P450 2D6, Human | 6300 | 0.29 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| CYP2E1 reactions | |
| Fatty acids | |
| G alpha (i) signalling events | |
| G alpha (z) signalling events | |
| Miscellaneous substrates | |
| Xenobiotics |
