General Information of the Compound
| Compound ID |
CP0704687
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| Compound Name |
shikonin
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| Synonyms |
Isoarnebin 4
NSC 252844
Shikonin
Shikonin S
Shikonin,(S)
Tokyo Violet
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| Structure |
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| Formula |
C16H16O5
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| Molecular Weight |
288.299
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| Canonical SMILES |
CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O
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| InChI |
InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1
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| InChIKey |
NEZONWMXZKDMKF-SNVBAGLBSA-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: PT00922, Epidermal growth factor receptor
Protein ID: PT01327, Sterol O-acyltransferase 1
Clinical Information about the Compound