General Information of the Compound
| Compound ID |
CP0041422
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| Compound Name |
4-[2-Methyl-1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid
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| Structure |
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| Formula |
C25H30O2
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| Molecular Weight |
362.513
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| Canonical SMILES |
CC(C)=C(c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C25H30O2/c1-16(2)22(17-7-9-18(10-8-17)23(26)27)19-11-12-20-21(15-19)25(5,6)14-13-24(20,3)4/h7-12,15H,13-14H2,1-6H3,(H,26,27)
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| InChIKey |
XYIWGTYPSQVWKX-UHFFFAOYSA-N
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| CAS |
146670-35-1
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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
Protein ID: PT01475, Retinoic acid receptor alpha
Protein ID: PT01452, Retinoic acid receptor beta
Protein ID: PT01806, Retinoic acid receptor gamma
Protein ID: PT01930, Retinoic acid receptor RXR-alpha