Structure Database (LMSD)

OH HO OH
Common Name
Glepidotin C
Systematic Name
Synonyms
LM ID
LMPK13090037
Formula
C19H22O3
Exact Mass
Calculate m/z
298.156895
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

String Representations

InChiKey (Click to copy)
NOPHUFYTJFIALJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H22O3/c1-13(2)17(20)12-16-18(21)10-15(11-19(16)22)9-8-14-6-4-3-5-7-14/h3-7,10-11,17,20-22H,1,8-9,12H2,2H3
SMILES (Click to copy)
C1(CC(O)C(C)=C)=C(O)C=C(CCC2=CC=CC=C2)C=C1O

References

Other Databases

KEGG ID
C10259
CHEBI ID
5382
PubChem CID
442703

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 298.63
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 3.65
Molar Refractivity 88.66

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Created at
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Updated at
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