Structure Database (LMSD)

Common Name
alpha,alpha'-diethyl-3,4,4'-stilbenetriol
Systematic Name
Synonyms
  • 3,4,4'-trihydroxy-alpha,alpha'-diethylstilbene
  • (E)-4-[1-ethyl-2-(4-hydroxyphenyl)-1-butenyl]-1,2-benzenediol
LM ID
LMPK13090023
Formula
C18H20O3
Exact Mass
Calculate m/z
284.141245
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
KEEHONPEZXWUDM-ISLYRVAYSA-N
InChi (Click to copy)
InChI=1S/C18H20O3/c1-3-17(12-5-7-14(19)8-6-12)18(4-2)13-9-15(20)11-16(21)10-13/h5-11,19-21H,3-4H2,1-2H3/b18-17+
SMILES (Click to copy)
C1=C(O)C=C(/C(/CC)=C(\CC)/C2=CC=C(O)C=C2)C=C1O

Other Databases

KEGG ID
C14740
PubChem CID
42608138

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 281.33
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 4.53
Molar Refractivity 85.27

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Updated at
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