Structure Database (LMSD)

Common Name
DACP analog of retinoic acid
Systematic Name
Synonyms
LM ID
LMPR01090027
Status
Active
Exact Mass
Calculate m/z
314.188195
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FSLMGODKGHHERM-FRCNGJHJSA-N
InChi (Click to copy)
InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-18-17(16(3)21)11-12-20(18,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+
SMILES (Click to copy)
C1(=C(C(=O)C)CCC1(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Activity of vitamin A analogues in cell cultures of mouse epidermis and organ cultures of hamster trachea.,
Nature, 1975
Pubmed ID: 1110749

Other Databases

CHEBI ID
LIPIDBANK ID
VVA0026
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 350.09
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.78
Molar Refractivity 94.15

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Created at
-
Updated at
2nd Jul 2021