Chartreusin

HCID 5281394CAS 6377-18-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CO[C@H]1[C@@H](O)[C@@H](C)O[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@@H]2O)[C@@H]1O
InChIKey
PONPPNYZKHNPKZ-RYBWXQSLSA-N
분자식
C32H32O14
평균 분자량
640.6 g/mol
단동위원소 질량
640.1792057

개요

Chartreusin is a glycoside and a benzochromenone.

이름 및 식별자

우선 이름
Chartreusin
IUPAC
3-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-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

Chartreusin6377-18-0Antibiotic X-465AHS0H395E3ODTXSID20930431Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((6-deoxy-2-O-(6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-NSC-51593-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-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-dione3-((2S,3R,4S,5R,6R)-3-((2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-methyloxan-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:125068DTXCID901359158(1R,2R,3aS,8aR)-1-((Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl)-1-(hydroxymethyl)-2,5-dimethyl-2,3,4,7,8,8a-hexahydroazulene-3a-carbaldehyde
이름 더 보기
LambdamycinChartreusin, dihydrateNSC 5159X 465AU-7257BRN 0075649UNII-HS0H395E3O10-[[6-Deoxy-2-O-(6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)-beta-D-galactopyranosyl]oxy]-6-hydroxy-1-methylbenzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione; Antibiotic X 465A; Lambdamycin; NSC 5159;

데이터베이스 식별자

CAS
6377-18-0
PubChem CID
5281394
DTXSID
DTXSID20930431
ChEMBL
CHEMBL1554674
ChEBI
CHEBI:3580
UNII
HS0H395E3O
EC Number
636-314-5
Nikkaji
J10.572D

물성

구조 계산 물성

XLogP
2.1
극성 표면적
200 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
14
회전 가능 결합 수
5
무거운 원자 수
46

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Antibiotics
LogP1.8

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 66 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesCarc. 2 (100%)

화학 및 산업

약리 정보

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

관련 반응

2건
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