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Substance Name: Javanicin
RN: 476-45-9
UNII: YNR51WFW2R
InChIKey: UWONIGLSEZRPGH-UHFFFAOYSA-N

Molecular Formula

  • C15-H14-O6

Molecular Weight

  • 290.2696
 
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Names and Synonyms

Name of Substance

  • Javanicin

Synonyms

  • 1,4-Naphthalenedione, 5,8-dihydroxy-6-methoxy-2-methyl-3-(2-oxopropyl)-
  • 1,4-Naphthoquinone, 3-acetonyl-5,8-dihydroxy-6-methoxy-2-methyl-
  • 3-Acetonyl-5,8-dihydroxy-6-methoxy-2-methyl-1,4-naphthoquinone
  • 4-08-00-03646 (Beilstein Handbook Reference)
  • 5,8-Dihydroxy-6-methoxy-3-(2-oxopropyl)-1,4-naphthalenedione
  • BRN 2296055
  • HSDB 3501
  • Javanicin
  • Javanicin (Fusarium)
  • UNII-YNR51WFW2R

Systematic Name

  • 1,4-Naphthoquinone, 3-acetonyl-5,8-dihydroxy-6-methoxy-2-methyl-

Registry Numbers

CAS Registry Number

  • 476-45-9

FDA UNII

  • YNR51WFW2R

System Generated Number

  • 0000476459

Structure Descriptors

InChI

1S/C15H14O6/c1-6(16)4-8-7(2)13(18)11-9(17)5-10(21-3)15(20)12(11)14(8)19/h5,17,20H,4H2,1-3H3

InChIKey

UWONIGLSEZRPGH-UHFFFAOYSA-N

Smiles

CC1=C(C(=O)c2c(c(cc(c2O)OC)O)C1=O)CC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 3, Pg. 217, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 208 dec deg C   EXP
log P (octanol-water) 2.110 (none)   EST
Atmospheric OH Rate Constant 1.13E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.