General Information of the Compound
| Compound ID |
CP0419786
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| Compound Name |
(-)-3,3'-bisdemethylpinoresinol
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| Synonyms |
(-)-3,3'-bisdemethylpinoresinol
BDBM50208822
CHEMBL227187
J3.605.566I
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| Structure |
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| Formula |
C18H18O6
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| Molecular Weight |
330.336
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| Canonical SMILES |
Oc1ccc(cc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C18H18O6/c19-13-3-1-9(5-15(13)21)17-11-7-24-18(12(11)8-23-17)10-2-4-14(20)16(22)6-10/h1-6,11-12,17-22H,7-8H2/t11-,12-,17+,18+/m1/s1
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| InChIKey |
OQSOTSIYXPYTRE-VVDPLQPHSA-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
Clinical Information about the Compound