Structure Database (LMSD)

Common Name
germacradienol
Systematic Name
2-[(1R,2E,4S,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol
Synonyms
LM ID
LMPR0103090009
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]
Germacrane sesquiterpenoids [PR010309]

String Representations

InChiKey (Click to copy)
ZVZPKUXZGROCDB-IFRRKGDKSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,11,13-14,16H,5,7-8,10H2,1-4H3/b11-9+,12-6+/t13-,14+/m0/s1
SMILES (Click to copy)
C1=C[C@@H](C)CCC=C(C)CC[C@H]1C(O)(C)C

Other Databases

CHEBI ID
46734
PubChem CID
16667385

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 259.21
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.37
Molar Refractivity 70.83

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Updated at
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