General Information of the Compound
| Compound ID |
CP0514714
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| Compound Name |
3,5'-dimethoxy-4-hydroxy-6'',6''-dimethylpyran[2'',3'':3',4']stilbene
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| Structure |
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| Formula |
C21H22O4
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| Molecular Weight |
338.403
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| Canonical SMILES |
COc1cc(\C=C\c2cc(OC)c3C=CC(C)(C)Oc3c2)ccc1O
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| InChI |
InChI=1S/C21H22O4/c1-21(2)10-9-16-18(23-3)12-15(13-19(16)25-21)6-5-14-7-8-17(22)20(11-14)24-4/h5-13,22H,1-4H3/b6-5+
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| InChIKey |
AVURBDQHFAMVEO-AATRIKPKSA-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