General Information of the Compound
| Compound ID |
CP0482647
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| Compound Name |
(6aR,9S)-9-ethoxy-6,6,9-trimethyl-3-pentyl-7,8-dihydro-6aH-benzo[c]chromene-1,4-dione
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| Structure |
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| Formula |
C23H32O4
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| Molecular Weight |
372.505
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| Canonical SMILES |
CCCCCC1=CC(=O)C2=C(OC(C)(C)[C@@H]3CC[C@](C)(OCC)C=C23)C1=O
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| InChI |
InChI=1S/C23H32O4/c1-6-8-9-10-15-13-18(24)19-16-14-23(5,26-7-2)12-11-17(16)22(3,4)27-21(19)20(15)25/h13-14,17H,6-12H2,1-5H3/t17-,23+/m1/s1
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| InChIKey |
IKNNPZHOLUQDDI-HXOBKFHXSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2