General Information of the Compound
| Compound ID |
CP0390993
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| Compound Name |
(2R,3'S)-1',1',3'-trimethyl-6-pentylspiro[3H-1-benzofuran-2,2'-cyclohexane]-4-ol
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| Structure |
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| Formula |
C21H32O2
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| Molecular Weight |
316.485
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| Canonical SMILES |
CCCCCc1cc2O[C@]3(Cc2c(O)c1)[C@@H](C)CCCC3(C)C
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| InChI |
InChI=1S/C21H32O2/c1-5-6-7-10-16-12-18(22)17-14-21(23-19(17)13-16)15(2)9-8-11-20(21,3)4/h12-13,15,22H,5-11,14H2,1-4H3/t15-,21+/m0/s1
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| InChIKey |
HMKNLZZEAWAZDQ-YCRPNKLZSA-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: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT06137, Transient receptor potential cation channel subfamily V member 2
Protein ID: PT04567, Transient receptor potential cation channel subfamily V member 4
Protein ID: PT00646, Transient receptor potential cation channel, subfamily V, member 3