General Information of the Compound
| Compound ID |
CP0487027
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| Compound Name |
2-(3,4-Dihydroxy-phenyl)-5-hexadecyloxy-6,7-dimethoxy-chromen-4-one
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| Structure |
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| Formula |
C33H46O7
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| Molecular Weight |
554.724
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| Canonical SMILES |
CCCCCCCCCCCCCCCCOc1c(OC)c(OC)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C33H46O7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-39-33-31-27(36)22-28(24-18-19-25(34)26(35)21-24)40-29(31)23-30(37-2)32(33)38-3/h18-19,21-23,34-35H,4-17,20H2,1-3H3
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| InChIKey |
QMJPNYIXFIRYEB-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