General Information of the Compound
| Compound ID |
CP0178905
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| Compound Name |
(S)-5,7,7'-trihydroxy-2',2'-dimethyl-6-(3-methylbut-2-enyl)-2,6'-bichroman-4-one
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| Structure |
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| Formula |
C25H26O6
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| Molecular Weight |
422.477
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| Canonical SMILES |
CC(C)=CCc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1cc2C=CC(C)(C)Oc2cc1O
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| InChI |
InChI=1S/C25H26O6/c1-13(2)5-6-15-17(26)11-22-23(24(15)29)19(28)12-21(30-22)16-9-14-7-8-25(3,4)31-20(14)10-18(16)27/h5,7-11,21,26-27,29H,6,12H2,1-4H3/t21-/m0/s1
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| InChIKey |
XPMCEWWRVJLSLM-NRFANRHFSA-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: PT01327, Sterol O-acyltransferase 1
Protein ID: PT02407, Sterol O-acyltransferase 2