General Information of the Compound
| Compound ID |
CP0528337
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| Compound Name |
Pongapin
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| Structure |
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| Formula |
C19H12O6
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| Molecular Weight |
336.299
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| Canonical SMILES |
COc1c(oc2c3ccoc3ccc2c1=O)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C19H12O6/c1-21-19-16(20)12-3-5-13-11(6-7-22-13)18(12)25-17(19)10-2-4-14-15(8-10)24-9-23-14/h2-8H,9H2,1H3
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| InChIKey |
IGFBIJDAWSAJIF-UHFFFAOYSA-N
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| CAS |
481-99-2
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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: PT02204, Cytochrome P450 1A1
Protein ID: PT02205, Cytochrome P450 1B1