Structure database (LMSD)

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LM IDLMPR0103610002
Common NameAlcyopterosins O
Systematic Name-
Synonyms-
Exact Mass
234.1620 (neutral)    Calculate m/z:
FormulaC15H22O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Illudalane sesquiterpenoids [PR010361]
PubChem CID10847307
InChIKeyBQJOEAFEARPHDH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H22O2/c1-10-6-11-7-15(2,3)8-13(11)14(9-17)12(10)4-5-16/h6,16-17H,4-5
,7-9H2,1-3H3
SMILESC1(C)=CC2CC(C)(C)CC=2C(CO)=C1CCO
StatusActive
ReferencesFraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2001, 18, 650-673.
Calculated physicochemical properties (?):
 Heavy Atoms17Rings2Aromatic Rings1Rotatable Bonds3
 van der Waals
Molecular Volume
242.10Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP2.43Molar
Refractivity
69.57