General Information of the Compound
| Compound ID |
CP0174438
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| Compound Name |
(2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-cyclohex-1-enyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
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| Synonyms |
(2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-cyclohex-1-enyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
4-((+/-)-(1H-imidazol-1-yl)-(E)-retinoic acid
4-(1-Imidazolyl)retinoic acid
BDBM50091698
CHEMBL57765
SCHEMBL1234027
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| Structure |
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| Formula |
C23H30N2O2
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| Molecular Weight |
366.505
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| Canonical SMILES |
C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(O)=O
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| InChI |
InChI=1S/C23H30N2O2/c1-17(7-6-8-18(2)15-22(26)27)9-10-20-19(3)21(11-12-23(20,4)5)25-14-13-24-16-25/h6-10,13-16,21H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,17-7+,18-15+
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| InChIKey |
MRFBVQCSZMKBFY-UBFIAYEVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound