Structure Database (LMSD)
Common Name
Iridoid skeleton
Systematic Name
Synonyms
LM ID
LMPR0102070000
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Iridoid skeleton
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
BSOMMQKXQBBLDD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O/c1-7-3-4-9-8(2)5-11-6-10(7)9/h7-10H,3-6H2,1-2H3
SMILES (Click to copy)
C12CCC(C)C1COCC2C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
2
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
165.63
Topological Polar Surface Area
11.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.88
Molar Refractivity
46.34
Admin
Created at
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Updated at
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