Elsamitrucin

HCID 5362259

노트 반응

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 97068-30-9
표준 SMILES: CO[C@@H]1[C@@H](N)[C@@H](O[C@H]2[C@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@H](O)[C@]2(C)O)O[C@H](C)[C@@H]1O
InChIKey: MGQRRMONVLMKJL-KWJIQSIXSA-N
분자식: C33H35NO13
평균 분자량: 653.6 g/mol
단동위원소 질량: 653.21084018

개요

Elsamicin A is a glycoside and a benzochromenone.

이름 및 식별자

우선 이름: Elsamitrucin
IUPAC: 3-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione

이름 및 동의어

ELSAMITRUCINElsamicin A97068-30-9ElsamitrucinaElsamitrucineElsamitrucinumBBM-2478ABMY-28090ZTV0FOB6NU10-O-ElsaminosylelsarosylchartarinNSC-369327BBM 2478A

이름 더 보기

BRN 52148133-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dioneDTXSID101028137Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((2-O-(2-amino-2,6-dideoxy-3-O-methyl-alpha-D-galactopyranosyl)-6-deoxy-3-C-methyl-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-3-((2S,3R,4S,5S,6R)-3-((2R,3R,4R,5S,6R)-3-amino-5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo(10.6.2.02,7.09,19.016,20)icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dioneRefChem:590719DTXCID101513712Benzo(h)(1)benzopyrano(5,4,3-cde)(1)ebnzopyran-5,12-dione,10((2-O-(2-amino-2,6-dideoxy-3-O-methyl-alpha-D-galactopyranosyl)-6-deoxy-3-C-methyl-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl

데이터베이스 식별자

CAS: 97068-30-9
PubChem CID: 5362259
DTXSID: DTXSID101028137
ChEMBL: CHEMBL2106409
ChEBI: CHEBI:222664
UNII: ZTV0FOB6NU
Nikkaji: J39.183B

물성

구조 계산 물성보충 중

XLogP: 2
극성 표면적: 206 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 14
회전 가능 결합 수: 5
무거운 원자 수: 47
형식 전하: 0
복잡도: 1,210

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Antibiotics

Pharmaceuticals -> Listed in ZINC15

화학 및 산업

약리 정보

Mechanism of ActionElsamitrucin induces single strand breaks in DNA and inhibits topoisomerase I and II, enzymes that play an important role in DNA replication.

Biological Half-Life36–60 h

MeSH Pharmacological ClassificationChemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.