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Substance Name: Phaseolinone
RN: 85431-61-4
UNII: OI28985TOJ
InChIKey: DDKJQSAECJSUNP-OCZRQZLOSA-N

Note

  • Isolated from Macrophomina phaseolina.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-O5

Molecular Weight

  • 280.318
 
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Names and Synonyms

Name of Substance

  • Phaseolinone

Synonyms

  • CCRIS 1276
  • Phaseolinone
  • UNII-OI28985TOJ

Systematic Names

  • Naphth(1,2-b)oxiren-2(1aH)-one, 4,5,6,7,7a,7b-hexahydro-6-hydroxy-1a-((2R)-2-(hydroxymethyl)oxiranyl)-7,7a-dimethyl-, (1aS,6R,7R,7aR,7bR)-
  • Phaseolinone

Registry Numbers

CAS Registry Number

  • 85431-61-4

FDA UNII

  • OI28985TOJ

System Generated Number

  • 0085431614

Structure Descriptors

InChI

1S/C15H20O5/c1-8-10(17)4-3-9-5-11(18)15(14(6-16)7-19-14)12(20-15)13(8,9)2/h5,8,10,12,16-17H,3-4,6-7H2,1-2H3/t8-,10+,12+,13+,14+,15-/m0/s1

InChIKey

DDKJQSAECJSUNP-OCZRQZLOSA-N

Smiles

C1[C@@H](O)[C@H](C)[C@@]2(C(=CC(=O)[C@]3([C@H]2O3)[C@@]2(CO2)CO)C1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 1gm/kg (1000mg/kg)   Drugs of the Future. Vol. 18, Pg. 451, 1993.