Structure Database (LMSD)

Common Name
2-Africananol
Systematic Name
Synonyms
LM ID
LMPR0103470001
Status
Active
Exact Mass
Calculate m/z
222.198365
Formula
C15H26O
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Africanane sesquiterpenoids [PR010347]

String Representations

InChiKey (Click to copy)
KVFZUTBKAXAVDX-OGMFBOKVSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-10-5-6-12-14(4)8-11(14)7-13(2,3)9-15(10,12)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1
SMILES (Click to copy)
[C@]12(O)CC(C)(C)C[C@H]3C[C@@]3(C)[C@@]1([H])CC[C@H]2C

References

Other Databases

CHEBI ID
188191
PubChem CID
42608164

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 239.77
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.90
Molar Refractivity 66.58

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Updated at
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