Ligand id: 4053

Name: retinol

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 20.23
Molecular weight 286.23
XLogP 6.16
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Crabb JW, Carlson A, Chen Y, Goldflam S, Intres R, West KA, Hulmes JD, Kapron JT, Luck LA, Horwitz J et al.. (1998)
Structural and functional characterization of recombinant human cellular retinaldehyde-binding protein.
Protein Sci., 7 (3): 746-57. [PMID:9541407]
2. Kramlinger VM, Nagy LD, Fujiwara R, Johnson KM, Phan TT, Xiao Y, Enright JM, Toomey MB, Corbo JC, Guengerich FP. (2016)
Human cytochrome P450 27C1 catalyzes 3,4-desaturation of retinoids.
FEBS Lett., 590 (9): 1304-12. [PMID:27059013]
3. Zhou XE, Suino-Powell KM, Xu Y, Chan CW, Tanabe O, Kruse SW, Reynolds R, Engel JD, Xu HE. (2011)
The orphan nuclear receptor TR4 is a vitamin A-activated nuclear receptor.
J. Biol. Chem., 286 (4): 2877-85. [PMID:21068381]