Structure database (LMSD)

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LM IDLMPR0103540001
Common Name(-)-Picrotoxinin
Systematic Name-
Synonyms-
Exact Mass
292.0947 (neutral)    Calculate m/z:
FormulaC15H16O6
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Picrotoxane sesquiterpenoids [PR010354]
PubChem CID442292
KEGG IDC09529
CHEBI ID8206
InChIKeyPIMZUZSSNYHVCU-YKWPQBAZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1
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SMILES
[C@@]12(C)[C@@]34C(=O)O[C@@H]1[C@@H]1OC(=O)[C@@H]([C@@H]1C(=C)C)[C@]2(O)C[C@H]3O4
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings5Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
251.08Topological Polar
Surface Area
89.50Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
6
 logP1.37Molar
Refractivity
69.39