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Dihydroaflatoxin G1

HCID 23670
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
7241-98-7
표준 SMILES
COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)C1CCOC1O2
InChIKey
WPCVRWVBBXIRMA-UHFFFAOYSA-N
분자식
C17H14O7
평균 분자량
330.29 g/mol
단동위원소 질량
330.07395278

개요

Dihydroaflatoxin G1 has been reported in Aspergillus flavus with data available.

이름 및 식별자

우선 이름
Dihydroaflatoxin G1
IUPAC
11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,9,11,13(18)-tetraene-17,19-dione
영어명
AFLATOXIN G2
분자식
C17H14O7
분자량
330.29

이름 및 동의어

Dihydroaflatoxin G11H,12H-Furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione, 3,4,7a,9,10,10a-hexahydro-5-methoxy-, (7aR-cis)-1H,12H-Furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione, 3,4,7a.alpha.,9,10,10a.alpha.-hexahydro-5-methoxy-SCHEMBL935567orb1708070WPCVRWVBBXIRMA-UHFFFAOYSA-N11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,9,11,13(18)-tetraene-17,19-dioneLS-14556NS00000081T135335-Methoxy-3,4,7a,9,10,10a-hexahydro-1H,12H-furo[3',2':4,5]furo[2,3-H]pyrano[3,4-c]chromene-1,12-dione #AF G2
이름 더 보기
AFLATOXIN G2AFLATOXIN G2(RG)AFLATOXIN G2(RG) 10mgAflatoxinG2,crystallineAflatoxin G2Aflatoxin G2 0.5ug/ml in ACNAflatoxin G2 Solution, 3 Mg/LAflatoxin G2 solution

물성

구조 계산 물성

XLogP
1.5
극성 표면적
80.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
1
무거운 원자 수
24
형식 전하
0
복잡도
626

실험 및 물리화학적 성질

Melting Point237 - 240 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
237 · 237-240 °C
끓는 점
387.74 °C · 387.74°C (rough estimate)
밀도
1.3099 · 1.3099 (rough estimate)
굴절률
1.479 · 1.4790 (estimate)
인화점
2 °C · 2 °C
저장 조건
2 · 2-8°C
용해도
DMF: Soluble; DMSO: Soluble; Ethanol: Soluble; Methanol: Soluble
물리적 상태
백색 내지 황색 분말. 청록색 형광.
색상
White to off-white
수용성
15 mg/L · 15mg/L(온도는 명시되지 않음)
BRN
1692017 · 1692017
Henry's Law Constant
9 · 9.0×108 mol/(m3Pa) at 25℃, HSDB (2015)
주요 응용
청소용품화장품음식 및 음료개인 위생 관리
InChI
InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

독성 정보

Treatment · 1건

Administration of phonobarbital enhances hepatic transformation activities and also protects against AFB-induced toxicity, carcinogenicity and DNA binding in vivo. In cases of ingestion, feeding large quantities of an adsorbent such as activated charcoal may be used. Antioxidants such as ellagic acid and inducers of some cytochromes P450, such as indole-3-carbinol, may give a protective effect. (A704, L1879)

Health Effects · 1건

The main target organ in mammals is the liver so aflatoxicosis is primarily a hepatic disease. Protracted exposure to aflatoxins may cause liver damage and necrosis, cholestasis, and hepatomas. Moreover, protracted exposure to aflatoxins has been associated with hepatocellular carcinoma, acute hepatitis, Reye's syndrome, bile duct cell proliferation, periportal fibrosis, hemorrhages, mucous membrane jaundice, fatty liver changes, cirrhosis in malnourished children, and kwashiorkor. However, aflatoxins accumulate in the presence of liver disease, and the association with hepatic cancer is confounded by the occurrence of hepatitis-B. Thus, it is not clear in these various instances whether aflatoxin is a primary cause of the disease, is an innocent bystander which accumulates secondary to the disease process, or is a contributing cause in conjunction with other factors. It is also mutagenic and teratogenic. Inhaled aflatoxins may produce pulmonary adenomatosis. Aflatoxins modify the immune system by affecting antibody formation, complement, cell-mediated immunity, and phagocytosis. (A704, L1956)

Exposure RoutesOral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
Toxicity Summary · 1건

Aflatoxins produce singlet oxygen upon their exposure to UV (365-nm) light. Singlet oxygen in turn activates them to mutagens and DNA binding species. Aflatoxin metabolites can intercalate into DNA and alkylate the bases through their epoxide moiety, binding particularity to N7-guanine bases. In addition to randomly mutating DNA, this is thought to cause mutations in the p53 gene, an important gene in preventing cell cycle progression when there are DNA mutations, or signaling apoptosis. (L1877, A2859, A2972)

화학 및 산업

약리 정보

Metabolism/MetabolitesAflatoxins are metabolized in the liver by the cytochrome P-450-dependent polysubstrate mono-oxygenase system to less toxic metabolites. The main reactions in aflatoxin metabolism are hydroxylation, oxidation, and demethylation. (A2973)
Cellular LocationsCytoplasm

용도 및 제조

Uses · 1건

The native habitat of Aspergillus is in soil, decaying vegetation, hay, and grains undergoing microbiological deterioration and it invades all types of organic substrates whenever conditions are favorable for its growth. Crops which are frequently affected include cereals (maize, sorghum, pearl millet, rice, wheat), oilseeds (peanut, soybean, sunflower, cotton), spices (chile peppers, black pepper, coriander, turmeric, ginger), and tree nuts (almond, pistachio, walnut, coconut, brazil nut). The toxin can also be found in the milk of animals which are fed contaminated feed. Thus, aflatoxins are usually encountered in thecontext of chronic exposure, via food intake or secondary to the handling of foodstuffs. (L1956)

응용 분야 · 2건

용도Aflatoxin G2 is the minor analogue of the green fluorescent family of bisfuranocoumarin mycotoxins produced by Aspergillus flavus and related species. Alfatoxins are one of the most potent mycotoxins known but are in fact "pre-toxins", requiring metabolic activation to the toxic principle. Aflatoxins are found widely in nature in trace amounts, particularly in grains and nuts. The toxicity of these metabolites was first recognised in the 1950s and their structures elucidated in 1963. Aflatoxins have been extensively reviewed.

일반 설명Very light and fluffy crystalline solid. Exhibits green-blue fluorescence.

공급사88 곳

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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
7241-98-7
PubChem CID
23670
InChIKey
WPCVRWVBBXIRMA-WNWIJWBNSA-N
SMILES
C1(=O)OC2C3[C@]4([H])CCO[C@]4([H])OC=3C=C(OC)C=2C2CCOC(=O)C1=2
LogP
0.443 · 0.443 (est)
EPA
2 · Aflatoxin G2 (7241-98-7)

화학적 성질

yellow powder

Signs and Symptoms
A broad range of symptoms can be found depending upon dosage, including, vomiting, abdominal pain, hemorrhage, and pulmonary edema. (L1879)
Carcinogen Classification1, carcinogenic to humans (L135)

안전 데이터

wgk
3
rtecs
LV1700000
ridadr
UN 3462 6.1/PG 1
독성
LD50 orally in day old duckling: 172.5 mg/50 gm body wt (Carnaghan)
HS 번호
30029090
risk_code
45-26/27/28-36-20/21/22-11-39/23/24/25-23/24/25-65-48/23/24/25-36/38-46
hazard_code
T+,T,Xn,F
safety_code
53-28-36/37-45-36-26-16-7-62
포장분류
I
위험 등급
6.1(a)
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
스토리지 클래스
3 - Flammable liquids
유해 물질 데이터
7241-98-7(Hazardous Substances Data)
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