Molecule Identification Common Name 3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid Definition Tretinoin belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. Based on a literature review a significant number of articles have been published on Tretinoin. Structure CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22) Synonyms Value Source (all-e)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate HMDB (all-e)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid HMDB 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate HMDB 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid HMDB all-(e)-Retinoate HMDB all-(e)-Retinoic acid HMDB all-trans-Retinoate HMDB all-trans-Tretinoin HMDB all-trans-Vitamin a acid HMDB all-trans-Vitamin a1 acid HMDB beta-Retinoate HMDB beta-Retinoic acid HMDB Retinoate HMDB, Generator Retinoic acid HMDB trans-Retinoate HMDB trans-Retinoic acid HMDB Tretin m HMDB Vitamin a acid HMDB
Chemical Formula C20 H28 O2 Average Molecular Weight 300.4351 Monoisotopic Molecular Weight 300.20893014 IUPAC Name 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid Traditional Name isotretinoin CAS Registry Number 302-79-4 SMILES CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O
InChI Identifier InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)
InChI Key SHGAZHPCJJPHSC-UHFFFAOYSA-N Chemical Taxonomy Description Belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. Kingdom Organic compounds Super Class Lipids and lipid-like molecules Class Prenol lipids Sub Class Retinoids Direct Parent Retinoids Alternative Parents Substituents Retinoic acid
Diterpenoid
Retinoid skeleton
Medium-chain fatty acid
Branched fatty acid
Methyl-branched fatty acid
Fatty acyl
Unsaturated fatty acid
Fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Organic oxygen compound
Carbonyl group
Aliphatic homomonocyclic compound Molecular Framework Aliphatic homomonocyclic compounds External Descriptors 
