General Information of the Compound
| Compound ID |
CP0495252
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| Compound Name |
butyl 2-[(6aR,9S,10aR)-1,9-dihydroxy-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]acetate
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| Structure |
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| Formula |
C21H30O5
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| Molecular Weight |
362.466
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| Canonical SMILES |
CCCCOC(=O)Cc1cc(O)c2[C@@H]3C[C@@H](O)CC[C@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C21H30O5/c1-4-5-8-25-19(24)11-13-9-17(23)20-15-12-14(22)6-7-16(15)21(2,3)26-18(20)10-13/h9-10,14-16,22-23H,4-8,11-12H2,1-3H3/t14-,15+,16+/m0/s1
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| InChIKey |
BFPYSJMEGNMOPV-ARFHVFGLSA-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