General Information of the Compound
| Compound ID |
CP0467462
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| Compound Name |
butyl 2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]-2-methylpropanoate
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| Structure |
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| Formula |
C24H34O4
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| Molecular Weight |
386.532
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| Canonical SMILES |
CCCCOC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
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| InChIKey |
BCRQALSSNMYCDD-QZTJIDSGSA-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
Protein ID: PT02190, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT01998, Cannabinoid receptor 2