Chartreusin

HCID 5281394
ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS
6377-18-0
標準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
分子式
C32H32O14
平均分子量
640.6 g/mol
単同位体質量
640.1792057

概要

Chartreusin is a glycoside and a benzochromenone.

名称と識別子

優先名称
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

名称と別名

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
名称をさらに表示
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;

データベース識別子

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

物性

構造計算による物性補完中

XLogP
2.1
極性表面積
200 Ų
水素結合供与体数
5
水素結合受容体数
14
回転可能結合数
5
重原子数
46

実験および物理化学的性質

DrugsPharmaceuticals -> Antibiotics
LogP1.8

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesCarc. 2 (100%)

化学と産業

薬理情報

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

関連反応

2 件
反応記録を作成

化合物ノート

読み込み中…