Structure Database (LMSD)

Common Name
(+)-3,7(11)-Acoradiene
Systematic Name
Synonyms
LM ID
LMPR0103660002
Formula
C15H22O
Exact Mass
Calculate m/z
218.167065
Status
Active
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]
Acorane sesquiterpenoids [PR010366]

String Representations

InChiKey (Click to copy)
GCGYSSVLNKVBEK-DOMZBBRYSA-N
InChi (Click to copy)
InChI=1S/C15H22O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,12H,5-6,8-9H2,1-4H3/t12-,15+/m1/s1
SMILES (Click to copy)
C1(=O)C(C)=CC[C@@]2([C@H](C)CC/C/2=C(/C)\C)C1

Other Databases

CHEBI ID
186704
PubChem CID
42608179

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 244.21
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.05
Molar Refractivity 67.20

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Created at
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Updated at
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