Picrotoxin, GABAA antagonist

Key facts

CAS番号

124-87-8

精製度

>98%

製品の状態

Solid

form

作製由来

Anamirta cocculus

分子量

602.6 Da

分子式

C₁₅H₁₈O₇.C₁₅H₁₆O₆

PubChem

31304

由来

Native

溶解性

For more Solubility (Complete) data for PICROTOXIN (7 total), please visit the HSDB record page.

Soluble in DMSO to 100 mM

Soluble in ethanol to 50 mM (with heating)

化学名

Picrotoxin

生物学的記述

Plant alkaloid. Non-competitive GABAA antagonist. Also inhibits homomeric glycine receptor. Convulsant *in vivo*.

Canonical smiles

CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O

Isomeric smiles

CC(=C)[C@@H]1C2[C@@H]3[C@@]4([C@](C1C(=O)O2)(CC5[C@]4(O5)C(=O)O3)O)C.C[C@@]12[C@H]3C4[C@H](C([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O

InChi

InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7?,8?,9-,13-,14-,15+;6?,7-,8?,9?,10+,13+,14+,15-/m10/s1

InChiKey

VJKUPQSHOVKBCO-ZTYBEOBUSA-N

IUPAC名

(1R,3R,5S,8S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,5S,8S,13R,14R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione