General Information of the Compound
| Compound ID |
CP0077632
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| Compound Name |
ISOPIMPINELLIN
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| Structure |
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| Formula |
C13H10O5
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| Molecular Weight |
246.218
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| Canonical SMILES |
COc1c2ccoc2c(OC)c2oc(=O)ccc12
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| InChI |
InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
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| InChIKey |
DFMAXQKDIGCMTL-UHFFFAOYSA-N
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| CAS |
482-27-9
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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: PT01002, Cytochrome P450 1A2
Protein ID: PT02205, Cytochrome P450 1B1
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT00905, Cytochrome P450 2C9
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT00986, Cytochrome P450 3A4