Structure Database (LMSD)

Common Name
6-Valerene-11-ol
Systematic Name
Synonyms
LM ID
LMPR0103460002
Formula
C15H26O
Exact Mass
Calculate m/z
222.198365
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Valerenane sesquiterpenoids [PR010346]

String Representations

InChiKey (Click to copy)
IYMKPZYUEJPWPC-ULKFAFIRSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-10-5-7-12(9-15(3,4)16)14-11(2)6-8-13(10)14/h9-11,13-14,16H,5-8H2,1-4H3/b12-9+/t10-,11-,13+,14-/m0/s1
SMILES (Click to copy)
[C@@]12([H])[C@@H](C)CC[C@]1([H])[C@@H](C)CC/C/2=C\C(O)(C)C

Other Databases

CHEBI ID
197246
PubChem CID
42608163

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 249.49
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.06
Molar Refractivity 68.67

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Updated at
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