Grundinformationen
- Standard-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- Summenformel
- C32H32O14
- Durchschnittliche Molmasse
- 640,6 g/mol
- Monoisotopische Masse
- 640,1792057
Überblick
Chartreusin is a glycoside and a benzochromenone.
Namen und Bezeichner
- Bevorzugter Name
- 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
Namen und Synonyme
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
Weitere Namen anzeigen
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;
Datenbank-Bezeichner
- CAS
6377-18-0- PubChem CID
- 5281394
- DTXSID
DTXSID20930431- ChEMBL
CHEMBL1554674- ChEBI
CHEBI:3580- UNII
- HS0H395E3O
- EC Number
- 636-314-5
- Nikkaji
- J10.572D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 200 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 46
- Formalladung
- 0
- Komplexität
- 1.150
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Antibiotics
LogP1.8
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Hazard Classes and CategoriesCarc. 2 (100%)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationChemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Zugehörige Reaktionen
2
Verknüpfte Notizen
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