Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Tutin
RN: 2571-22-4
UNII: B69P754702
InChIKey: CCAZWUJBLXKBAY-ULZPOIKGSA-N

Note

  • Neurotoxin found in Coriaria shrubs; hyenanchin is the hydroxy derivative.

Molecular Formula

  • C15-H18-O6

Molecular Weight

  • 294.3012
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Tutin

Synonyms

  • Toot poison
  • Tutin
  • Tutine
  • Tutu
  • UNII-B69P754702

Systematic Names

  • (1aS-(1aalpha,1bbeta,2beta,5beta,6alpha,6abeta,7beta,7aalpha,8S*))-Hexahydro-1b,6-dihydroxy-6a-methyl-8-(1-methylethenyl)spiro(2,5-methano-7H-oxireno(3,4)cyclopent(1,2-d)oxepin-7,2'-oxiran)-3(2alpha H)-one
  • Spiro(2,5-methano-7H-oxireno(3,4)cyclopent(1,2-d)oxepin-7,2'-oxiran)-3(2ah)-one, 1a-beta,1b,5a,6,6a,7a-beta-hexahydro-1b-alpha,6-beta-dihydroxy-8a-isopropenyl-6a-alpha-methyl-

Registry Numbers

CAS Registry Number

  • 2571-22-4

FDA UNII

  • B69P754702

System Generated Number

  • 0002571224

Structure Descriptors

InChI

1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1

InChIKey

CCAZWUJBLXKBAY-ULZPOIKGSA-N

Smiles

[C@@]12([C@@]([C@@H]3[C@H]([C@]42OC4)O3)([C@@H]2[C@@H]([C@H]([C@H]1O)OC2=O)C(=C)C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo unreported 2mg/kg (2mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Pharmacology and Experimental Therapeutics. Vol. 2, Pg. 73, 1910.
mouse LD50 intraperitoneal 3mg/kg (3mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 729, 1968.
mouse LD50 subcutaneous 3613ug/kg (3.613mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 2, 1940.
rabbit LD50 intravenous 1244ug/kg (1.244mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 2, 1940.
rabbit LD50 subcutaneous 1521ug/kg (1.521mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 2, 1940.
rabbit LDLo unreported 1666ug/kg (1.666mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: COMA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 2, Pg. 73, 1910.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.260 (none)   EST
Water Solubility 1.90E+04 mg/L 10 EXP
Atmospheric OH Rate Constant 6.67E-11 cm3/molecule-sec 25 EST

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