Javanicin

Base Information

• Chemical Name: Javanicin
• CAS No.: 1834-07-7
• Molecular Formula: C15H14O6
• UNII: YNR51WFW2R
• DSSTox Substance ID: DTXSID40963882,DTXSID30871664
• Nikkaji Number: J5.976E
• Wikidata: Q27294612,Q104394781
• Metabolomics Workbench ID: 109594
• ChEMBL ID: CHEMBL1224810
• Mol file: 1834-07-7.mol

Synonyms:JAVANICIN;476-45-9;Javanicin (Fusarium);HSDB 3501;UNII-YNR51WFW2R;YNR51WFW2R;BRN 2296055;3-Acetonyl-5,8-dihydroxy-6-methoxy-2-methyl-1,4-naphthoquinone;1,4-Naphthalenedione, 5,8-dihydroxy-6-methoxy-2-methyl-3-(2-oxopropyl)-;5,8-Dihydroxy-6-methoxy-3-(2-oxopropyl)-1,4-naphthalenedione;1,4-Naphthoquinone, 3-acetonyl-5,8-dihydroxy-6-methoxy-2-methyl-;5,8-dihydroxy-6-methoxy-2-methyl-3-(2-oxopropyl)naphthalene-1,4-dione;4-08-00-03646 (Beilstein Handbook Reference);5,8-Dihydroxy-6-methoxy-2-methyl-3-(2-oxopropyl)-1,4-naphthalenedione;fusarium;JAVANICIN [MI];JAVANICIN [HSDB];SCHEMBL3147213;CHEMBL1224810;DTXSID30871664;DTXSID40963882;AKOS040745888;LS-95612;Q27294612;7-acetonyl-5,8-dihydroxy-2-methoxy-6-methyl-naphthalene-1,4-dione;1,4-NAPHTHALENEDIONE, 7-ACETONYL-5,8-DIHYDROXY-2-METHOXY-6-METHYL-;1,4-NAPHTHALENEDIONE, 5,8-DIHYDROXY-2-METHOXY-6-METHYL-7-(2-OXOPROPYL)-;1834-07-7

Chemical Property of Javanicin

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 290.07903816
• Heavy Atom Count: 21
• Complexity: 508

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C2C(=C1O)C(=O)C=C(C2=O)OC)O)CC(=O)C