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Entry |
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Classification |
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Carotenoid Name
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(13Z)-Retinoic acid: 13-cis-Retinoic acid;
13-cis-Retinoate
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IUPAC name |
(13Z)-15-Apo-beta-caroten-15-oic acid
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Formula |
C20H28O2
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Molecular Weight |
300.424 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
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Biological functions/Properties |
Anticarcinogenic activity - clinically used to treat acute promyelocytic leukaemia, skin diseases, and cancer. (Ref.631)
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Number of
conjugated double bonds |
6 including one carboxylic acid (6 in total)
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Number of
conjugated multiple bonds |
6 including one carboxylic acid (6 in total)
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Isomers |
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
6.254
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
2
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| LipinskiFailures |
1
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| Complexity of molecule |
0.120
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| Number of heavy atoms |
22
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TPSA
(Topological Polar Surface Area) |
37.300 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
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Minor carotenoid information |
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Source organisms |
Homo sapiens (Ref.631) - Mammal: Human (Chordata - Hominidae)
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References |
Ref.631: Yusuke Takahashi, Gennadiy Moiseyev, Ying Chen, Krysten Farjo, Olga Nikolaeva, and Jian-xing Ma, FEBS J. Author manuscript; available in PMC 2012 April 1. "An Enzymatic Mechanism for Generating the Precursor of Endogenous 13-cis Retinoic Acid in the Brain".
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CAS |
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Links to other DB |
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