Pubchem ID | 72281 |
---|---|
CAS | 520-33-2 |
IUPAC name | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O |
InCheykey | InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
302.282 | 3 | 6 | 2 | 96.2 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Slightly Soluble | Weaker / Non binder | Low | Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Degradable |