General Information of the Compound
| Compound ID |
CP0914087
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| Compound Name |
(12E,20Z,18S)-8-hydroxy-variabilin
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| Synonyms |
(12E,20Z,18S)-8-hydroxyvariabilin
GTPL4072
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| Structure |
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| Formula |
C25H36O5
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| Molecular Weight |
416.558
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| Canonical SMILES |
CC1=C(O)/C(=C/[C@@H](C)CCC/C(C)=C/CCC(C)(O)CCCc2ccoc2)OC1=O
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| InChI |
InChI=1S/C25H36O5/c1-18(8-5-9-19(2)16-22-23(26)20(3)24(27)30-22)10-6-13-25(4,28)14-7-11-21-12-15-29-17-21/h10,12,15-17,19,26,28H,5-9,11,13-14H2,1-4H3/b18-10+,22-16-/t19-,25?/m0/s1
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| InChIKey |
QFBUNOKEKXMSCV-UYYPKTQPSA-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: PT05068, Glycine receptor subunit alpha-1
Protein ID: PT05547, Glycine receptor subunit alpha-3
Clinical Information about the Compound
Drug 1 ( (12E,20Z,18S)-8-hydroxyvariabilin )
| Drug Name | (12E,20Z,18S)-8-hydroxyvariabilin | ||
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