General Information of the Compound
| Compound ID |
CP0853337
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| Compound Name |
4-((1R,2R,5R)-5-Hydroxymethyl-8-methyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-2-methoxy-phenol
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| Structure |
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| Formula |
C17H22O4
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| Molecular Weight |
290.359
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| Canonical SMILES |
COc1cc([C@@H]2OC[C@]3(CO)CC=C(C)[C@H]2C3)ccc1O
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| InChI |
InChI=1S/C17H22O4/c1-11-5-6-17(9-18)8-13(11)16(21-10-17)12-3-4-14(19)15(7-12)20-2/h3-5,7,13,16,18-19H,6,8-10H2,1-2H3/t13-,16+,17-/m1/s1
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| InChIKey |
ZRCWCCFJYHCAAK-XOKHGSTOSA-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: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta