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Substance Name: Roridin E
RN: 16891-85-3
UNII: 98826FBF79
InChIKey: KEEQQEKLEZRLDS-FLGSVKSYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C29-H38-O8

Molecular Weight

  • 514.6112
 
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Names and Synonyms

Name of Substance

  • Roridin E

Synonyms

  • Roridin E
  • Roridine E
  • UNII-98826FBF79

Systematic Names

  • Verrucarin A, 2',3'-didehydro-7'-deoxo-2'-deoxy-7'-((1R)-1-hydroxyethyl)-, (2'E,7'R)-
  • Verrucarin A, 2',3'-didehydro-7'-deoxo-2'-deoxy-7'-(1-hydroxyethyl)-, (2'E,7'R(R))-

Registry Numbers

CAS Registry Number

  • 16891-85-3

FDA UNII

  • 98826FBF79

System Generated Number

  • 0016891853

Structure Descriptors

InChI

1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21-,22-,23-,24-,27-,28-,29+/m1/s1

InChIKey

KEEQQEKLEZRLDS-FLGSVKSYSA-N

Smiles

C[C@@H](O)[C@@H]1OCC\C(=C\C(=O)OC[C@]23CCC(=C[C@H]2O[C@@H]4C[C@@H](OC(=O)\C=C/C=C/1)[C@@]3(C)[C@]45CO5)C)\C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 10mg/kg (10mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicon. Vol. 23, Pg. 731, 1985.
mouse LD50 oral 55mg/kg (55mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicon. Vol. 23, Pg. 731, 1985.
rabbit LDLo oral 17300ug/kg (17.3mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM LARGE INTESTINE

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Toxicon. Vol. 23, Pg. 731, 1985.