Structure Database (LMSD)

OH OH HO OH
Common Name
alpha,alpha'-diethyl-3,4,3',4'-stilbenetetraol
Systematic Name
Synonyms
  • 3,4,3',4'-tetrahydroxy-alpha,alpha'-diethylstilbene
LM ID
LMPK13090022
Formula
C18H20O4
Exact Mass
Calculate m/z
300.13616
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)
ZJTGBEWGVMMKMV-FOCLMDBBSA-N
InChi (Click to copy)
InChI=1S/C18H20O4/c1-3-15(11-5-6-17(21)18(22)9-11)16(4-2)12-7-13(19)10-14(20)8-12/h5-10,19-22H,3-4H2,1-2H3/b16-15+
SMILES (Click to copy)
C1=C(O)C=C(/C(/CC)=C(\CC)/C2=CC(O)=C(O)C=C2)C=C1O

References

Other Databases

KEGG ID
C14739
PubChem CID
42608137

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 290.12
Topological Polar Surface Area 80.92
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 4.24
Molar Refractivity 86.94

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Created at
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Updated at
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