General Information of the Compound
| Compound ID |
CP0403870
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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]acetate
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| Structure |
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| Formula |
C22H30O4
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| Molecular Weight |
358.478
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| Canonical SMILES |
CCCCOC(=O)Cc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C22H30O4/c1-5-6-9-25-20(24)13-15-11-18(23)21-16-10-14(2)7-8-17(16)22(3,4)26-19(21)12-15/h7,11-12,16-17,23H,5-6,8-10,13H2,1-4H3/t16-,17-/m1/s1
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| InChIKey |
NXGVBKIUPUWPHV-IAGOWNOFSA-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: PT01998, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2