Pubchem ID | 5280805 |
---|---|
CAS | 153-18-4 |
IUPAC name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
Synonyms | Rutoside|Phytomelin|Quercetin 3-rutinoside|Eldrin|Birutan|Rutin trihydrate|Myrticolorin|Venoruton|Rutabion|3-Rutinosyl quercetin|Bioflavonoid|Tanrutin|Osyritrin|Paliuroside|Rutine|Rutozyd|3-Rhamnoglucosylquercetin|Melin|Quercetin-3-rutinoside|Quercetin 3-O-rutinoside|Rutosidum|Rutosido|Rutinum|Globularicitrin|Violaquercitrin|Globulariacitrin|Rutinic acid|Birutan Forte|Birutin|Quercetin rhamnoglucosine|Vitamin P |
Categories | Nutrition enhancer |
SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
InCheykey | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-, 15+,17-,18+,20+,21-,22+,23+,26+,27-/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 |
---|---|---|---|---|
610.521 | 10 | 16 | 6 | 266.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Very Low Absorption | Very Low Solubility | Weaker / Non binder | Undefined | Non - 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 |