Showing Metabocard for 2-hydroxymelatonin (BASm0010666)
| Common Name | 2-hydroxymelatonin |
|---|---|
| Description | A member of the class of hydroxyindoles that is melatonin in which the hydrogen at position 2 of the indole ring has been replaced by a hydroxy group. A predominant hydroxylated melatonin metabolite in plants. |
| Structure | |
| Molecular Formula | C13H16N2O3 |
| Average Mass | 248.28200 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | COc1ccc2[nH]c(O)c(CCNC(C)=O)c2c1 |
| InChI Identifier | InChI=1S/C13H16N2O3/c1-8(16)14-6-5-10-11-7-9(18-2)3-4-12(11)15-13(10)17/h3-4,7,15,17H,5-6H2,1-2H3,(H,14,16) |
| InChI Key | CIEAUFSGHUWAMC-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:145792 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Polarizability | Not Available |