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Chemical structure of Picrotoxin

GC18511

Picrotoxin

Also known as (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

Picrotoxin (Cocculin) is a plant alkaloid that is a non-competitive antagonist of GABAA receptors and can block the chloride channel of GABAA receptors

ChemicalCAS124-87-8MW602.58FormulaC30H34O13
CAS number
124-87-8
Molecular weight
602.58
Formula
C30H34O13
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,DMSO：PBS(pH 7·2) (1：3)： 0·25 mg/ml,Ethanol： 15 mg/ml
InChIKey
VJKUPQSHOVKBCO-ZTYBEOBUSA-N
Catalogue number
GC18511
Brand
GLPBIO
Computed properties PubChem CID 31304 · TPSA 191 Ų · H-bond donors 3 · H-bond acceptors 13
TPSA
191 Ų
H-bond donors
3
H-bond acceptors
13
Rotatable bonds
2
Heavy atoms
43

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

Computed descriptors from PubChem (CID 31304), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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