Hyflavin

HCID 1072CAS 13123-37-0

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C
InChIKey: AUNGANRZJHBGPY-UHFFFAOYSA-N
分子式: C17H20N4O6
平均分子量: 376.4 g/mol
単同位体質量: 376.13828436

概要

Hyflavin has been reported in Aspergillus unilateralis, Syzygium, and Eremothecium gossypii with data available.

名称と識別子

優先名称: Hyflavin
IUPAC: 7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione

名称と別名

Hyflavin7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo(g)pteridine-2,4-dioneRefChem:10871057,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione301335-02-41-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitolL-AraboflavineC17H20N4O6(?)-RiboflavinRiboflavin (B2)NSC 33298

名称をさらに表示

7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dioneOvoflavinNSC183436,7-Dimethyl-9-ribitylisoalloxazine7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)-3,10-dihydrobenzo[g]pteridine-2,4 -dioneNCGC00017291-05Wasserstoff RiboflavinLactoflavine, zinvit-g

データベース識別子

CAS: 13123-37-0、301335-02-4、83-88-5
PubChem CID: 1072
DTXSID: DTXSID70859128
ChEMBL: CHEMBL511565
Nikkaji: J1.920.223B

物性

構造計算による物性

XLogP: -1.5
極性表面積: 155 Å²
水素結合供与体数: 5
水素結合受容体数: 7
回転可能結合数: 5
重原子数: 27
形式電荷: 0
複雑度: 680

実験および物理化学的性質

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