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Substance Name: Avarol
RN: 55303-98-5
UNII: KZX416VN2B
InChIKey: JSPUCPNQXKTYRO-LWILDLIXSA-N

Note

  • Extract from Dysidea avara(sea sponge).

Molecular Formula

  • C21-H30-O2

Molecular Weight

  • 314.466
 

Classification Codes

  • Anti-Infective Agents
  • Antineoplastic Agents
  • Antiviral Agents
  • Mutation Data
  • Natural Product
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Names and Synonyms

Name of Substance

  • Avarol

Synonyms

  • Avarol
  • NSC 306951
  • UNII-KZX416VN2B

Systematic Names

  • (1R-(1alpha,2beta,4abeta,8abeta))-2-((1,2,3,4,4a,7,8,8a-Octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-1,4-benzenediol
  • 1,4-Benzenediol, 2-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-, (1R-(1-alpha,2-beta,4a-beta,8a-alpha))-

Registry Numbers

CAS Registry Number

  • 55303-98-5

FDA UNII

  • KZX416VN2B

System Generated Number

  • 0055303985

Structure Descriptors

InChI

1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19,22-23H,5,7,10-11,13H2,1-4H3/t15-,19+,20+,21+/m0/s1

InChIKey

JSPUCPNQXKTYRO-LWILDLIXSA-N

Smiles

C[C@H]1CC[C@]2([C@H]([C@]1(C)Cc3cc(ccc3O)O)CCC=C2C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 269mg/kg (269mg/kg)   Cancer Research. Vol. 45, Pg. 4822, 1985.