Grayanotoxane-3,5,6,10,14,16-hexol

HCID 207666CAS 30460-38-9

基本情報

標準SMILES: CC1(C)[C@H](O)C[C@H]2[C@](C)(O)[C@@H]3CCC4[C@H](O)C3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O
InChIKey: BWMFRQKICHXLSH-PMDFNMFYSA-N
分子式: C20H34O6
平均分子量: 370.5 g/mol
単同位体質量: 370.23553881

概要

Grayanotoxins are toxins found in rhododendrons and other plants of the family Ericaceae. It can be found in honey made from their nectar and cause a very rare poisonous reaction called grayanotoxin poisoning, honey intoxication, or rhododendron poisoning. (L1251)

名称と識別子

優先名称: Grayanotoxane-3,5,6,10,14,16-hexol
IUPAC: (3R,4R,6R,8S,9R,10R,14R,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14,16-hexol

名称と別名

DTXSID80952790Grayanotoxane-3,5,6,10,14,16-hexol30460-38-9RefChem:1086182DTXCID5013808643-Epigrayanotoxin III3-epi-Grayanotoxin III(3-alpha,6-beta,14R)Grayanotoxane-3,5,6,10,14,16-hexolGrayanotoxane-3,5,6,10,14,16-hexol, (3-alpha,6-beta,14R)-(14S)-Grayanotoxane-3alpha,5,6beta,10,14,16-hexol

データベース識別子

CAS: 30460-38-9
PubChem CID: 207666
DTXSID: DTXSID80952790

物性

構造計算による物性

XLogP: 0.3
極性表面積: 121 Å²
水素結合供与体数: 6
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 26
形式電荷: 0
複雑度: 623

安全と法規制

毒性情報

TreatmentMedical treatment is not often needed but sometimes atropine therapy, vasopressors and other agents are used to mitigate symptoms. (L1251)

Health EffectsGrayanotoxins affect the nervous system but are not usually fatal. (L1251)

Exposure RoutesOral (ingestion) (L1817) ; dermal (L1817)

Toxicity SummaryGrayanotoxins bind to specific sodium ion channels in cell membranes. The grayanotoxins prevent inactivation, leaving excitable cells depolarized. (L1251)

Signs and Symptoms · 1 件

Initial symptoms include excessive salivation, perspiration, vomiting, dizziness, weakness and paresthesia in the extremities and around the mouth, low blood pressure and sinus bradycardia. In higher doses symptoms can include loss of coordination, severe and progressive muscular weakness, bradycardia (and, paradoxically, ventricular tachycardia), and nodal rhythm or Wolff-Parkinson-White syndrome. (L1251)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

化学と産業

用途と製造

UsesGrayanotoxins are toxins found in rhododendrons and other plants of the family Ericaceae. (L1251)