Structure Database (LMSD)

Common Name
8-Epiiridodial
Systematic Name
Synonyms
LM ID
LMPR0102070022
Formula
C10H16O2
Exact Mass
Calculate m/z
168.11503
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]

String Representations

InChiKey (Click to copy)
OJGPEAXUHQRLNC-PEBGCTIMSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-11H,3-4H2,1-2H3/t6-,8-,9-,10-/m1/s1
SMILES (Click to copy)
O[C@@H]1OC=C(C)[C@@]2([H])CC[C@@H](C)[C@]21[H]

Other Databases

KEGG ID
C11651
CHEBI ID
2317
PubChem CID
443334

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 171.78
Topological Polar Surface Area 31.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.19
Molar Refractivity 46.74

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Updated at
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