General Information of the Compound
| Compound ID |
CP0446278
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| Compound Name |
(6aR,9S,10aR)-6,6,9-trimethyl-3-pentyl-10,10a-dihydro-6aH-benzo[c]chromene-1,9-diol
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| Structure |
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| Formula |
C21H30O3
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| Molecular Weight |
330.468
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| Canonical SMILES |
CCCCCc1cc(O)c2[C@@H]3C[C@](C)(O)C=C[C@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C21H30O3/c1-5-6-7-8-14-11-17(22)19-15-13-21(4,23)10-9-16(15)20(2,3)24-18(19)12-14/h9-12,15-16,22-23H,5-8,13H2,1-4H3/t15-,16-,21-/m1/s1
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| InChIKey |
PGZISGZFEFJPOZ-WHSLLNHNSA-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