基本情報
- CAS
10163-13-0- 標準SMILES
CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O- InChIKey
IKGXIBQEEMLURG-UHFFFAOYSA-N- 分子式
- C27H30O16
- 平均分子量
- 610.5 g/mol
- 単同位体質量
- 610.15338488
概要
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one is a glycoside and a member of flavonoids.
名称と識別子
- 優先名称
- Vitamin P
- IUPAC
- 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
名称と別名
Vitamin P1340-08-5CitrinRefChem:934092DTXSID001053456Solute carrier family 25, member 13Calcium-binding mitochondrial carrier protein Aralar2215-672-2OsyritinQuercetin-3-o-rutinoseDL-Rutin949926-49-2
名称をさらに表示
Rutosids23502-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one10163-13-0VenorutonIlixathin1558680-22-02-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
データベース識別子
- CAS
10163-13-0、1340-08-5、153-18-4- PubChem CID
- 5293655
- DTXSID
DTXSID70859300- ChEMBL
CHEMBL32579- ChEBI
CHEBI:91643- EC Number
- 215-672-2
物性
構造計算による物性
- XLogP
- -1.3
- 極性表面積
- 266 Ų
- 水素結合供与体数
- 10
- 水素結合受容体数
- 16
- 回転可能結合数
- 6
- 重原子数
- 43
- 形式電荷
- 0
- 複雑度
- 1,020
実験および物理化学的性質
DrugsPharmaceuticals
LogP-0.09
関連反応
3 件
化合物ノート
読み込み中…