기본 정보
- CAS
476-45-9- 표준 SMILES
COC1=CC(=O)c2c(O)c(C)c(CC(C)=O)c(O)c2C1=O- InChIKey
UHPMCKVQTMMPCG-UHFFFAOYSA-N- 분자식
- C15H14O6
- 평균 분자량
- 290.27 g/mol
- 단동위원소 질량
- 290.07903816
개요
Javanicin is a naphthoquinone.
이름 및 식별자
- 우선 이름
- Javanicin
- IUPAC
- 5,8-dihydroxy-2-methoxy-6-methyl-7-(2-oxopropyl)naphthalene-1,4-dione
- 현지명
- 자바니신
- 영어명
- javanicin
- 분자식
- C15H14O6
- 분자량
- 290.27
이름 및 동의어
JAVANICIN476-45-95,8-Dihydroxy-2-methoxy-6-methyl-7-(2-oxopropyl)naphthalene-1,4-dioneJavanicin (Fusarium)HSDB 3501YNR51WFW2RBRN 22960553-Acetonyl-5,8-dihydroxy-6-methoxy-2-methyl-1,4-naphthoquinoneJAVANICIN [MI]JAVANICIN [HSDB]5,8-Dihydroxy-6-methoxy-3-(2-oxopropyl)-1,4-naphthalenedione1,4-Naphthalenedione, 5,8-dihydroxy-6-methoxy-2-methyl-3-(2-oxopropyl)-
이름 더 보기
자바니신HSDB3501HSDB-3501Yavanicin
DTXSID409638821,4-Naphthoquinone, 3-acetonyl-5,8-dihydroxy-6-methoxy-2-methyl-4-08-00-03646 (Beilstein Handbook Reference)5,8-Dihydroxy-6-methoxy-2-methyl-3-(2-oxopropyl)-1,4-naphthalenedione1,4-NAPHTHALENEDIONE, 7-ACETONYL-5,8-DIHYDROXY-2-METHOXY-6-METHYL-1,4-NAPHTHALENEDIONE, 5,8-DIHYDROXY-2-METHOXY-6-METHYL-7-(2-OXOPROPYL)-RefChem:792519DTXCID401391608
데이터베이스 식별자
- CAS
476-45-9- PubChem CID
- 10149
- DTXSID
DTXSID40963882- ChEMBL
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 508
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical shift
Color/FormRED CRYSTALS WITH COPPERY LUSTER FROM ETHANOL
SolubilitySOL IN ALKALIS
Other Experimental PropertiesDECOMP @ 207.5-208 °C
물리화학적 성질
- 녹는점
- 208 °C · 208°C (rough estimate)
- 끓는 점
- 352.36 °C · 352.36°C (rough estimate)
- 밀도
- 1.2451 · 1.2451 (rough estimate)
- 굴절률
- 1.4359 · 1.4359 (estimate)
- 산도 계수 (pKa)
- 6.88 · 6.88±0.20(Predicted)
- LogP
- 1.51 · 1.510 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Special ReportsTOXIC EFFECTS & STRUCTURAL FORMULAS ARE DISCUSSED.[KERN H; PHYTOTOXINS PRODUCED BY FUSARIA; PHYTOTOXINS PLANT DIS, PROC NATO ADVAN STUDY INST: 35 (1972)]
독성 정보
InteractionsTHE TOXIC ACTION TO PLANTS WAS REDUCED OR ABOLISHED BY ORGANIC ACIDS (PARTICULARLY GLUTAMIC ACID) & BY METAL IONS (PARTICULARLY COPPER).
Natural Pollution SourcesANTIBIOTIC SUBSTANCE PRODUCED BY FUSARIUM JAVANICUM: ARNSTEIN, COOK, J CHEM SOC 1947, 1021.
Non-Human Toxicity ExcerptsA DOSE OF 60 MG/KG JAVANICIN PRODUCED PHYTOTOXIC EFFECTS IN PEAS & TOMATO PLANTS. 50% ALPHA-DECARBOXYLASE ACTIVITY WAS INHIBITED BY 105X10-6 MOLAR CONCN.
안전 데이터
- 유해 물질 데이터
- 476-45-9(Hazardous Substances Data)
화학 및 산업
약리 정보
Mechanism of Action
JAVANICIN WAS AMONG MOST ACTIVE OF NAPHTHAZARIN DERIVATIVES WHICH INHIBITED ANAEROBIC DECARBOXYLATION OF PYRUVATE IN VITRO CATALYZED BY SACCHAROMYCES CEREVISIAE PYRUVATE DECARBOXYLASE. THE DEGREE OF INHIBITION PARALLELED ANTIFUNGAL ACTIVITY. THIS INHIBITION RESULTED FROM REACTION WITH COENZYME THIAMINE PYROPHOSPHATE & COULD BE PARTIALLY OVERCOME BY EXCESS THIAMINE PYROPHOSPHATE. OXIDATIVE DECARBOXYLATION OF ALPHA-KETOGLUTARATE BY SUSPENSION OF TOMATO MITOCHONDRIA WAS ALSO INHIBITED.
용도 및 제조
Methods of ManufacturingPREPD BY REDN OF FUSARUBIN: RUELIUS, GAUHE, ANN 569, 38 (1950).
상·하류 제품 정보
상류 원료
공급사6 곳
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