General Information of the Compound
| Compound ID |
CP0390989
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| Compound Name |
(7R,8aR,10aR)-7-iodo-8,8,10a-trimethyl-3-pentyl-6,7,8a,9-tetrahydro-5H-xanthen-1-ol
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| Structure |
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| Formula |
C21H31IO2
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| Molecular Weight |
442.381
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| Canonical SMILES |
CCCCCc1cc(O)c2C[C@@H]3C(C)(C)[C@H](I)CC[C@@]3(C)Oc2c1
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| InChI |
InChI=1S/C21H31IO2/c1-5-6-7-8-14-11-16(23)15-13-18-20(2,3)19(22)9-10-21(18,4)24-17(15)12-14/h11-12,18-19,23H,5-10,13H2,1-4H3/t18-,19-,21-/m1/s1
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| InChIKey |
JSSYKJQHXLSUCV-SFHLNBCPSA-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