Structure Database (LMSD)

O HO O OH OH O O
Common Name
(-)-Usnic acid
Systematic Name
Synonyms
LM ID
LMPK13060002
Formula
C18H16O7
Exact Mass
Calculate m/z
344.089605
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Dibenzofurans, griseofulvins, dibenzopyrans and xanthones [PK1306]

String Representations

InChiKey (Click to copy)
WEYVVCKOOFYHRW-GOSISDBHSA-N
InChi (Click to copy)
InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m1/s1
SMILES (Click to copy)
[C@@]12(C)C(=O)C(=C(O)C=C1OC1C(C(=O)C)=C(C(C)=C(O)C2=1)O)C(=O)C

References

Other Databases

Wikipedia
Usnic_acid
KEGG ID
C10101
CHEBI ID
122
PubChem CID
442614

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 1
Rotatable Bonds 2
Van der Waals Molecular Volume 312.39
Topological Polar Surface Area 123.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 2.13
Molar Refractivity 85.92

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Updated at
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