safranal   Click here for help

GtoPdb Ligand ID: 13283

Comment: Safranal is a plant-derived bioactive flavonoid compound. Molecular docking indicates that safranal interacts with the orthosteric binding site of serotonin 5-HT1A and 5-HT2A receptors [1]. In vivo, it reduces symptoms of depression and anxiety in rodents.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 17.07
Molecular weight 150.22
XLogP 2.45
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC1=C(C=O)C(C)(C)CC=C1
Isomeric SMILES CC1=C(C(CC=C1)(C)C)C=O
InChI InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
InChI Key SGAWOGXMMPSZPB-UHFFFAOYSA-N