3-メチル-1,8,9-アントラセントリオール

3-Methylanthralin

HCID 10288CAS 491-59-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1
InChIKey: JBGKVNQFVAJOGC-UHFFFAOYSA-N
分子式: C15H12O3
平均分子量: 240.25 g/mol
単同位体質量: 240.07864424

概要

chrysarobin has been reported in Senna obtusifolia, Senna garrettiana, and other organisms with data available.

名称と識別子

優先名称: 3-Methylanthralin
IUPAC: 3-methylanthracene-1,8,9-triol
現地名: 3-メチル-1,8,9-アントラセントリオール
英語名: CHRYSAROBIN
分子式: C15H12O3
分子量: 240.25

名称と別名

3-Methyl-1,8,9-anthracenetriol491-59-83-MethylanthralinPurified ararobaChrysophanic acid anthranol1,8,9-Trihydroxy-3-methylanthraceneDTXSID10486719-hydroxy chrysarobin0433FJV3CIDTXCID4028597RefChem:9115261,8-dihydroxy-3-methyl-9(10H)-anthracenone

名称をさらに表示

クリサロビンクリソファン酸アントラノール3-メチルアントラリン3-メチル-1,8,9-アントラセントリオール3-メチルアントラセン-1,8,9-トリオール9-anthracenetriol,3-methyl-83-methyl-1,8,9-anthacenetriol

6307EF51M1ChrysarobinNSC61523-methylanthracene-1,8,9-triol1,8,9-Anthracenetriol, 3-methyl-3-Methyl-1,8,9-trihydroxyanthraceneNCGC00181774-01CAS-491-59-8

データベース識別子

CAS: 491-59-8
PubChem CID: 10288
DTXSID: DTXSID1048671
ChEMBL: CHEMBL2135835
UNII: 0433FJV3CI
Nikkaji: J1.553I

物性

構造計算による物性

XLogP: 4.3
極性表面積: 60.7 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 18
形式電荷: 0
複雑度: 306

物理化学的性質

融点: 203.7 °C · 203.7 °C
沸点: 342.97 °C · 342.97°C (rough estimate)
比重(密度): 1.1783 · 1.1783 (rough estimate)
屈折率: 1.557 · 1.5570 (estimate)
酸解離定数(Pka): 6.5 · 6.50±0.30(Predicted)

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

応用分野

使用Chrysarobin was identified as a photolytic decomposition compound. Commonly used in food packaging and adhesives.

サプライヤー9 社

Apin Chemicals Limited (UK)[email protected]

Carbone Scientific CO., LTD[email protected]

APIN-NP[email protected]

PFALTZ-BAUER[email protected]

CHROMADEX[email protected]