General Information of the Compound
| Compound ID |
CP0157114
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| Compound Name |
(6aR,10aR)-6,6,9-trimethyl-3-(2-(4-propylphenyl)propan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
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| Structure |
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| Formula |
C28H36O2
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| Molecular Weight |
404.594
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| Canonical SMILES |
CCCc1ccc(cc1)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C28H36O2/c1-7-8-19-10-12-20(13-11-19)27(3,4)21-16-24(29)26-22-15-18(2)9-14-23(22)28(5,6)30-25(26)17-21/h9-13,16-17,22-23,29H,7-8,14-15H2,1-6H3/t22-,23-/m1/s1
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| InChIKey |
MZOOIDJUCGIQIU-DHIUTWEWSA-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 |
| 1 |
EC50 = 3630 nM
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TI
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LO
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