General Information of the Compound
| Compound ID |
CP0390958
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| Compound Name |
4-((1R,2S,5R)-5-Hydroxymethyl-1,8-dimethyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-phenol
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| Structure |
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| Formula |
C17H22O3
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| Molecular Weight |
274.36
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| Canonical SMILES |
CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3)[C@]1(C)C2
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| InChI |
InChI=1S/C17H22O3/c1-12-7-8-17(10-18)9-16(12,2)15(20-11-17)13-3-5-14(19)6-4-13/h3-7,15,18-19H,8-11H2,1-2H3/t15-,16+,17+/m0/s1
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| InChIKey |
BTMLDEFXAAGOSN-GVDBMIGSSA-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