General Information of the Compound
| Compound ID |
CP0539147
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| Compound Name |
(1R,3aR,6aR)-5-hexyl-4-(5-hydroxy-2-methylphenyl)-3a-(1-phenylethenyl)-2,3,6,6a-tetrahydro-1H-pentalen-1-ol
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| Structure |
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| Formula |
C29H36O2
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| Molecular Weight |
416.605
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| Canonical SMILES |
CCCCCCC1=C(c2cc(O)ccc2C)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1
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| InChI |
InChI=1S/C29H36O2/c1-4-5-6-8-13-23-18-26-27(31)16-17-29(26,21(3)22-11-9-7-10-12-22)28(23)25-19-24(30)15-14-20(25)2/h7,9-12,14-15,19,26-27,30-31H,3-6,8,13,16-18H2,1-2H3/t26-,27+,29-/m0/s1
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| InChIKey |
CZFQEFJWEWDLQG-GKRYNVPLSA-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