General Information of the Compound
| Compound ID |
CP0408845
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| Compound Name |
4-(2,4-dimethylpent-3-en-2-yl)-1,6,7-trihydroxy-3-methyl-9H-xanthen-9-one
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| Structure |
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| Formula |
C21H22O5
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| Molecular Weight |
354.402
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| Canonical SMILES |
CC(C)=CC(C)(C)c1c(C)cc(O)c2c1oc1cc(O)c(O)cc1c2=O
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| InChI |
InChI=1S/C21H22O5/c1-10(2)9-21(4,5)18-11(3)6-15(24)17-19(25)12-7-13(22)14(23)8-16(12)26-20(17)18/h6-9,22-24H,1-5H3
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| InChIKey |
BFCORSRKGHOBIS-UHFFFAOYSA-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