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Substance Name: Ngaione
RN: 581-12-4
InChIKey: WOFDWNOSFDVCDF-LSDHHAIUSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C15-H22-O3

Molecular Weight

  • 250.336
 
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Names and Synonyms

Results Name

  • Ngaione

Synonyms

  • 1-(5-(3-Furyl)tetrahydro-2-methyl-2-furyl)-4-methyl-2-pentanone, (2R,5S)-(-)
  • Ngaione

Systematic Names

  • 2-Pentanone, 1-(5-(3-furyl)-2-methyl-tetrahydro-2-furyl)-4-methyl-, (2R,5S)-(-)-
  • 2-Pentanone, 4-methyl-1-(2,3,4,5-tetrahydro-5-methyl-(2,3'-bifuran)-5-yl)-, (2S-cis)- (9CI)

Registry Numbers

CAS Registry Number

  • 581-12-4

Other Registry Numbers

  • 12770-41-1
  • 50884-35-0

System Generated Number

  • 0000581124

Structure Descriptors

InChI

1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3/t14-,15+/m0/s1

InChIKey

WOFDWNOSFDVCDF-LSDHHAIUSA-N

Smiles

c1([C@@H]2CC[C@](C)(CC(CC(C)C)=O)O2)ccoc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 188mg/kg (188mg/kg) LIVER: OTHER CHANGES Nongsa Sihom Yongu Pogo. Research Reports on Agricultural Experimentation. Vol. 26(2), Pg. 64, 1984.
mouse LD50 oral 280mg/kg (280mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL" British Journal of Experimental Pathology. Vol. 53, Pg. 242, 1972.
rat LD50 intraperitoneal 153mg/kg (153mg/kg) LIVER: OTHER CHANGES Nongsa Sihom Yongu Pogo. Research Reports on Agricultural Experimentation. Vol. 26(2), Pg. 64, 1984.
rat LD50 oral 350mg/kg (350mg/kg)   Australian Journal of Chemistry. Vol. 23, Pg. 107, 1970.