General Information of the Compound
| Compound ID |
CP0042459
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| Compound Name |
(6aR,10aR)-6,6,9-Trimethyl-3-(1-methyl-1-phenyl-ethyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
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| Synonyms |
628263-22-9
DTXSID50745439
KM-233
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| Structure |
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| Formula |
C25H30O2
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| Molecular Weight |
362.513
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| Canonical SMILES |
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1
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| InChI |
InChI=1S/C25H30O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h6-11,14-15,19-20,26H,12-13H2,1-5H3/t19-,20-/m1/s1
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| InChIKey |
GZYXCXRHVALIJD-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000552 | T98G | Homo sapiens (Human) | 1 |
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EC50 = 4680 nM
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TI
LI
LO
TS
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Clinical Information about the Compound