Structure Database (LMSD)

O O H H
Common Name
(+)-Iridodial
Systematic Name
Synonyms
LM ID
LMPR0102070011
Formula
C10H16O2
Exact Mass
Calculate m/z
168.11503
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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)
HMCYXRFNNOPPPR-AXTSPUMRSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-10H,3-4H2,1-2H3/t7-,8-,9+,10+/m0/s1
SMILES (Click to copy)
[C@]1([H])(CC[C@H](C)[C@@]1([H])C=O)[C@@H](C)C=O

References

Other Databases

KEGG ID
C09785
CHEBI ID
25
PubChem CID
442426

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 181.50
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.68
Molar Refractivity 46.67

Admin

Created at
-
Updated at
-