Ligand
Ligand Name:   Beta‐ionylideneacetaldehyde
Ligand Type:   non-polymer
Ligand ID:   COVPDB1076 PubChem:   5355026
Synonym(s):  
  •   unii-961au1411r
  • 961au1411r
  • (2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
  • 3917-41-7
  • nsc23977
  • (7e,9e)-|a-ionylidene acetaldehyde
  • beta-apo-11-carotenal
  • schembl3447082
  • schembl3447084
  • (e)-beta-ionylideneacetaldehyde
  • zinc4430041
  • (7e,9e)-beta-ionylideneacetaldehyde
  • nsc-23977
  • q27896526
  • 3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2,4-pentadienal
  • (2z,4e)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2,4-pentadienal
  • (4e)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2,4-pentadienal
  • 2e,4e)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienal
  • (2e,4e)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadien-1-al
  • 1209-68-3
show 19 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=C/C=C(\C)/C=C/C(C1(C)C)=C(C)CCC1
Standard InChI:   InChI=1S/C15H22O/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h7-9,11H,5-6,10H2,1-4H3/b8-7+,12-9+
Molecular Formula:   C15H22O Mol. Weight:   218.16707 logP:   4.2144
HBD:   0 HBA:   1
#Rotatable Bonds:   3 TPSA:   17.07

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cellular retinoic acid-binding protein 2 P29373 (RABP2_HUMAN) Homo sapiens (Human) 3CR6 LSR
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SHOW
Cellular retinoic acid-binding protein 2 P29373 (RABP2_HUMAN) Homo sapiens (Human) 3F8A LSR
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SHOW
Cellular retinoic acid-binding protein 2 P29373 (RABP2_HUMAN) Homo sapiens (Human) 3F9D LSR
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SHOW
Cellular retinoic acid-binding protein 2 P29373 (RABP2_HUMAN) Homo sapiens (Human) 3FA6 LSR
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SHOW