Structure database (LMSD)

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LM IDLMPK13060002
Common Name(-)-Usnic acid (W)
Systematic Name-
Synonyms-
Exact Mass
344.0896 (neutral)    Calculate m/z:
FormulaC18H16O7
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassDibenzofurans, griseofulvins, dibenzopyrans and xanthones [PK1306]
PubChem CID442614
KEGG IDC10101
CHEBI ID122
InChIKeyWEYVVCKOOFYHRW-GOSISDBHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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[C@@]12(C)C(=O)C(=C(O)C=C1OC1C(C(=O)C)=C(C(C)=C(O)C2=1)O)C(=O)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings3Aromatic Rings1Rotatable Bonds2
 van der Waals
Molecular Volume
312.39Topological Polar
Surface Area
123.20Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP2.13Molar
Refractivity
85.92