General Information of the Compound
| Compound ID |
CP0404852
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| Compound Name |
(1S,4R,5S)-4-(4-Hydroxy-phenyl)-6,9,9-trimethyl-3-oxa-bicyclo[3.3.1]non-6-en-1-ol
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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(O)CO[C@H]([C@@H]1C2(C)C)c1ccc(O)cc1
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| InChI |
InChI=1S/C17H22O3/c1-11-8-9-17(19)10-20-15(14(11)16(17,2)3)12-4-6-13(18)7-5-12/h4-8,14-15,18-19H,9-10H2,1-3H3/t14-,15+,17-/m1/s1
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| InChIKey |
VHSPWLODCYBGCV-HLLBOEOZSA-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