기본 정보
- CAS
77879-89-1- 표준 SMILES
COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)ccc(O)c12- InChIKey
LAFIWGHCXCBAPO-CGVLGGEFSA-N- 분자식
- C26H26O9
- 평균 분자량
- 482.5 g/mol
- 단동위원소 질량
- 482.1576824
개요
1-hydroxy-10,12-dimethoxy-8-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]naphtho[1,2-c]isochromen-6-one has been reported in Streptomyces, Streptomyces griseoflavus, and other organisms with data available.
이름 및 식별자
- 우선 이름
- 1,5-Anhydro-6-deoxy-1-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-benzo(d)naphtho(1,2-b)pyran-4-yl)hexitol
- IUPAC
- 1-hydroxy-10,12-dimethoxy-8-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]naphtho[1,2-c]isochromen-6-one
- 영어명
- 6H-Benzo(d)naphtho(1,2-b)pyran-6-one, 4-(6-deoxy-alpha-galactofuranosy l)-1-hydroxy-10,12-dimethoxy-8-methyl-
- 분자식
- C26H26O9
- 분자량
- 482.48
이름 및 동의어
DTXSID209990681,5-Anhydro-6-deoxy-1-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-benzo(d)naphtho(1,2-b)pyran-4-yl)hexitol1,5-Anhydro-6-deoxy-1-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)hexitolRefChem:1053408DTXCID101426044DC-38-MBRN 5675008SCHEMBL298843641-hydroxy-10,12-dimethoxy-8-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]naphtho[1,2-c]isochromen-6-oneDB-216124(1R)-1,5-Anhydro-6-deoxy-1-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)-D-galactitolgilvocarcin M
이름 더 보기
AnandiMycin B, ToroMycin B, 1072A4-(6-Deoxy-α-L-galactofuranosyl)-1-hydroxy-10,12-dimethoxy-8-methyl-6H-benzo[d]naphtho[1,2-b]pyran-6-one6H-Benzo[d]naphtho[1,2-b]pyran-6-one, 4-(6-deoxy-α-D-galactofuranosyl)-1-hydroxy-10,12-dimethoxy-8-methyl-6H-Benzo(d)naphtho(1,2-b)pyran-6-one, 4-(6-deoxy-alpha-galactofuranosy l)-1-hydroxy-10,12-dimethoxy-8-methyl-
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 778
물리화학적 성질
- 끓는 점
- 807.966 · 807.966±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.453 · 1.453±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMF: soluble; DMSO: soluble
- 물리적 상태
- 노란색 고체.
- 산도 계수 (pKa)
- 8.595 · 8.595±0.20(predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
화학 및 산업
응용 분야
개요Gilvocarcin M is an antibiotic originally isolated from S. gilvotanareus. It is active against S. aureus when used at a concentration of 32 μg/ml. Gilvocarcin M inhibits growth of KB cells (IC50 = 0.52 μg/ml) but has no effect on survival in a P388 mouse model of leukemia when used at doses ranging from 25 to 400 mg/kg. Gilvocarcin M intercalates into bacteriophage PM2 DNA. It is toxic to rats with an intravenous LD50 value of 450 mg/kg.
용도Gilvocarcin M is the minor analogue of a complex of C-glycoside antitumour actives isolated from a Streptomyces sp.. Gilvocarcin M contains a methyl group in the 8-position, and is less active than the vinyl analogue (gilvocarcin V), which is thought to act as an inhibitor of human topoisomerase II. Gilvocarcin M displays potent antibacterial, antifungal, antiviral and antitumour activity. Recent research suggests that the gilvocarcins act as photoactivated crosslinkers of DNA to histones.
공급사16 곳
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