5,7-Dihydroxy-3-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxy-2-(3,4,5-Trihydroxyphenyl)Chromen-4-One

HCID 5352000CAS 17912-87-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1OC(Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O
InChIKey: DCYOADKBABEMIQ-UHFFFAOYSA-N
分子式: C21H20O12
平均分子量: 464.4 g/mol
単同位体質量: 464.09547608

概要

myricitrin has been reported in Mycoacia fuscoatra, Glochidion sphaerogynum, and other organisms with data available.

名称と識別子

優先名称: 5,7-Dihydroxy-3-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxy-2-(3,4,5-Trihydroxyphenyl)Chromen-4-One
IUPAC: 5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

名称と別名

5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-oneRefChem:1072260Myricetin 3-rhamnosideMLS000737865Rhamnoside,myricetin-3Myricetin 3-O-L-rhamnosideMyricetol 3-rhamnosideSMR0005281965,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-oneMyricetin-3-O-alpha-L-rhamnosideMyricetin 3-O-.alpha.-L-rhamnopyranosideMyricitrin (8CI)

名称をさらに表示

Myricitrin [M+H]+Flavone,3,3',4',5,5',7-hexahydroxy-,3-rhamnosideCHEMBL1599224SCHEMBL13240936cid_5352000DTXSID60864807DCYOADKBABEMIQ-UHFFFAOYSA-NBDBM115130

データベース識別子

CAS: 17912-87-7
PubChem CID: 5352000
DTXSID: DTXSID60864807
ChEMBL: CHEMBL1599224

物性

構造計算による物性

XLogP: 0.5
極性表面積: 207 Å²
水素結合供与体数: 8
水素結合受容体数: 12
回転可能結合数: 3
重原子数: 33
形式電荷: 0
複雑度: 760

実験および物理化学的性質

Melting Point194 - 197 °C

Physical DescriptionSolid

化学と産業

薬理情報

Cellular LocationsCytoplasm