크리스사로빈

3-Methylanthralin

HCID 10288CAS 491-59-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1
InChIKey: JBGKVNQFVAJOGC-UHFFFAOYSA-N
분자식: C15H12O3
평균 분자량: 240.25 g/mol
단동위원소 질량: 240.07864424

개요

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

이름 및 식별자

우선 이름: 3-Methylanthralin
IUPAC: 3-methylanthracene-1,8,9-triol
현지명: 크리스사로빈
영어명: CHRYSAROBIN
분자식: C15H12O3
분자량: 240.25

이름 및 동의어

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

이름 더 보기

크리스사로빈9-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 60.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 18
형식 전하: 0
복잡도: 306

물리화학적 성질

녹는점: 203.7 °C · 203.7 °C
끓는 점: 342.97 °C · 342.97°C (rough estimate)
밀도: 1.1783 · 1.1783 (rough estimate)
굴절률: 1.557 · 1.5570 (estimate)
산도 계수 (pKa): 6.5 · 6.50±0.30(Predicted)

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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.

응용 분야

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

공급사9 곳

Apin Chemicals Limited (UK)[email protected]

Carbone Scientific CO., LTD[email protected]

APIN-NP[email protected]

PFALTZ-BAUER[email protected]

CHROMADEX[email protected]

연결된 노트

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