General Information of the Compound
| Compound ID |
CP0436547
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| Compound Name |
1-Acetoxy-3-(1,1-dimethyl-heptyl)-6,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid
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| Structure |
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| Formula |
C27H34O5
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| Molecular Weight |
438.564
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(OC(C)=O)c-2c(OC(C)(C)c3ccc(cc-23)C(O)=O)c1
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| InChI |
InChI=1S/C27H34O5/c1-7-8-9-10-13-26(3,4)19-15-22(31-17(2)28)24-20-14-18(25(29)30)11-12-21(20)27(5,6)32-23(24)16-19/h11-12,14-16H,7-10,13H2,1-6H3,(H,29,30)
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| InChIKey |
OZYPBNOVYCOQTG-UHFFFAOYSA-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