Structure Database (LMSD)

Common Name
Dihydroresveratrol
Systematic Name
Synonyms
LM ID
LMPK13090035
Formula
Exact Mass
Calculate m/z
230.094295
Status
Active


Classification

String Representations

InChiKey (Click to copy)
HITJFUSPLYBJPE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2
SMILES (Click to copy)
C1=C(O)C=C(CCC2=CC=C(O)C=C2)C=C1O

Other Databases

KEGG ID
CHEBI ID
PubChem CID
Cayman ID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 2
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 214.77
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 2.59
Molar Refractivity 65.29

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Created at
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Updated at
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