기본 정보
- CAS
21884-44-6- 표준 SMILES
Cc1cc(O)c2c(c1O)C(=O)C13C(=C2O)C(=O)C2C(O)C1C1C(O)C3C(=O)C3=C(O)c4c(O)cc(C)c(O)c4C(=O)C321- InChIKey
FAZDYVMEXQHRLI-UHFFFAOYSA-N- 분자식
- C30H22O12
- 평균 분자량
- 574.5 g/mol
- 단동위원소 질량
- 574.11112613
개요
Luteoskyrin is a cyclic ketone and an organic polycyclic compound.
이름 및 식별자
- 우선 이름
- Luteoskyrin
- IUPAC
- 5,8,10,14,20,23,25,28-octahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,10,19,21,23,25-octaene-3,12,18,27-tetrone
- 영어명
- Rugulosin, 8,8'-dihydroxy-, (1S,1'S,2R,2'R,3S,3'S,9aR,9'aR)-
- 분자식
- C30H22O12
- 분자량
- 574.49
이름 및 동의어
LUTEOSKYRIN(-)-Luteoskyrin8,8'-Dihydroxyrugulosin21884-44-6NSC160879Flavomycelin5,8,10,14,20,23,25,28-octahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,10,19,21,23,25-octaene-3,12,18,27-tetroneRUGULOSIN, 8,8'-DEHYDROXY-Luteoskyrin, (-)-NSC-1608792,2',4,4'5,5',8,8'-Octahydroxy-2,2',3,3'-tetrahydro-7,7'-dimethyl-1,1'-bianthraquinone5H,6H-6,13a,5a,14-(1,2,3,4)Butanetetraylcycloocta(1,2-b:5,6-b')dinaphthalene-5,8,13,16(14H)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-
이름 더 보기
LUTHEOSKIRINE(1S,1'S,2R,2'R,3S,3'S,9aR,9'aR)-8,8'-Dihydroxyrugulosin[1S,1'S,2R,2'R,3S,3'S,9aR,9'aR,(-)]-8,8'-DihydroxyrugulosinRugulosin, 8,8'-dihydroxy-, (1S,1'S,2R,2'R,3S,3'S,9aR,9'aR)-5H,6H-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-b:5,6-b']dinaphthalene-5,8,13,16(14H)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-, (5aR,6S,13aR,14S,17R,18S,19S,20R)-
Rugulosin,8'-dihydroxy-LUTEOSKYRIN, (-)MLS004491708SCHEMBL846545octahydroxy(dimethyl)[?]tetroneCHEMBL2003746DTXSID0020787RUGULOSIN,8'-DEHYDROXY-
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 230 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,360
물리화학적 성질
- 녹는점
- 278 °C · 278°C (rough estimate)
- 끓는 점
- 555.89 °C · 555.89°C (rough estimate)
- 밀도
- 1.3474 · 1.3474 (rough estimate)
- 굴절률
- 1.648 · 1.6480 (estimate)
- 산도 계수 (pKa)
- 4.2 · 4.20±1.00(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Health EffectsLuteoskyrin is hepatotoxic and hepatocarcinogenic, causing hepatic disorders such as liver
cirrhosis and liver tumors. (A3069, A3070)
Exposure RoutesOral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
Toxicity Summary
Luteoskyrin is hepatotoxic. It is thought that this is a result of its metabolic reduction to the semiquinone radical catalyzed by NADPH-dependent cytochrome reductases in the liver, leading to the generation of active oxygen species in redox systems. This causes the induction of lipid peroxidation, hepatocellular membrane damage, and elevation of serum transaminase activities, resultin in liver injuries. Luteoskyrin is also hepatocarcinogenic, possibly a result of its ability to induce DNA fragmentation. It is able to bind to DNA, forming chelate-complexes with nucleic acids and select metal ions. Luteoskyrin inhibits the replication, transcription and repair of DNA, which is at least partially because it inhibits RNA polymerase and ribonuclease H. (A2955, A3042, A3070, A3071, A3072)
Carcinogen Classification3, not classifiable as to its carcinogenicity to humans. (L135)
안전 데이터
- 유해 물질 데이터
- 21884-44-6(Hazardous Substances Data)
화학 및 산업
약리 정보
Metabolism/MetabolitesLuteoskyrin accumulates selectively in the liver, with minor distribution to the serum and kidneys. In the liver it is reduced to its semiquinone radical by NADPH-dependent cytochrome reductases. (A3070,A3071)
용도 및 제조
UsesLuteoskyrin is a mycotoxin produced by the fungus Penicillium islandicum. It is known to be a storage mold contaminant of rice. (A3069)
공급사5 곳
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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