General Information of the Compound
| Compound ID |
CP0203358
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| Compound Name |
(6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methylheptan-2-yl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene
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| Synonyms |
1-Methoxy-3-(1',1'-dimethylhexyl)-Delta(8)-THC
6H-Dibenzo(b,d)pyran, 3-(1,1-dimethylhexyl)-6a,7,8,10a-tetrahydro-1-methoxy-6,6,9-trimethyl-, (6aR,10aR)-
832111-99-6
8HHX5B1WP5
BDBM50265755
CHEMBL498346
JWH-229
UNII-8HHX5B1WP5
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| Structure |
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| Formula |
C25H38O2
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| Molecular Weight |
370.577
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| Canonical SMILES |
CCCCCC(C)(C)c1cc(OC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C25H38O2/c1-8-9-10-13-24(3,4)18-15-21(26-7)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20H,8-13H2,1-7H3/t19-,20-/m1/s1
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| InChIKey |
PUBXDTLETUTKIJ-WOJBJXKFSA-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
Clinical Information about the Compound