2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl)Oxy)-4H-Chromen-4-One 2-(3,4-二羟基苯基)-5,7-二羟基-3-(((2S,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-基)氧基)-4H-苯并吡喃-4-酮
CAS 482-35-9 MFCD00017746
化学结构图
SMILES: O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
化学属性
| Mol. Formula | C21H20O12 |
|---|---|
| Mol. Weight | 464.38 |
别名和识别编码
| Chemical Name | 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl)Oxy)-4H-Chromen-4-One |
|---|---|
| Synonym | 3,3,4,5,7-Pentahydroxyflavone 3--glucoside 3,3′,4′,5,7-Pentahydroxyflavone 3-β-glucoside 3,3′,4′,5,7-五羟基黄酮 3-β-葡萄糖甙 异栎素 3,3′,4′,5,7-五羟基黄酮 3-β-葡萄糖甙 异栎素 槲皮素 3-β-D-葡萄糖甙 3-Glucosylquercetin Glucosyl 3-quercetin Hirsutrin Isoquercetin {hazard_com} Quercetin 3-D-glucoside Quercetin 3-O-glucoside Quercetin 3-beta-D-glucoside; 2-(3,4-Hihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one Quercetin 3-beta-O-glucoside Quercetin 3-beta-glucoside Quercetin 3-glucoside Quercetin 3-monoglucoside Quercetin-3-glucoside Quercetol 3-glucoside 异栎素 槲皮素 3-β-D-葡萄糖甙 |
| MDL Number | MFCD00017746 |
| Beilstein Registry Number | 100989 |
| CAS Number | 482-35-9 |
| PubChem Substance ID | 5280804 |
| EC Number | 244-488-5 |
| Chemical Name Translation | 2-(3,4-二羟基苯基)-5,7-二羟基-3-(((2S,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-基)氧基)-4H-苯并吡喃-4-酮 |
| InChIKey | OVSQVDMCBVZWGM-QSOFNFLRSA-N |
| InChI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 |
| LabNetwork Molecule ID | LN01377964 |
| Canonical SMILES | O=C1C(O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)=C(C3=CC=C(O)C(O)=C3)OC4=CC(O)=CC(O)=C14 |
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分类
- {SNA} Acacia,
- {SA} Allium cepa (Onion), Allium sativum (Garlic), Armoracia rusticana (Horseradish), Artemisia vulgaris, Aspalathus linearis (Rooibos tea), Berberis sp.,
- {SNA} Acacia, Aesculus,
- {SNA} Allium cepa (Onion), Allium sativum (Garlic),
- {SNA} Allium cepa (Onion), Allium sativum (Garlic), Armoracia rusticana (Horseradish), Artemisia vulgaris, Aspalathus linearis (Rooibos tea), Berberis sp., Ginkgo biloba, Humulus lupulus (Hops), Hypericum perforatum (St John's wort), Ocimum basilicum (Basil), Phytochemicals by Plant (Food/Spice/Herb), Sambucus nigra (Elderberry), Vaccinium myrtillus (Bilberry), 细胞生物学, 营养研究
相关文献及参考
- Merck 14 ,5221
安全信息
GHS Symbol
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 19,326,1985
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
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