General Information of the Compound
| Compound ID |
CP0256501
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| Compound Name |
17beta-Estradiol-17-(beta-D-glucuronide)
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| Synonyms |
[3H]-estradiol-17beta-glucuronide
[3H]estradiol-17beta-glucuronide
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| Structure |
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| Formula |
C24H32O8
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| Molecular Weight |
448.512
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
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| InChI |
InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1
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| InChIKey |
MTKNDAQYHASLID-QXYWQCSFSA-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: PT05092, Organic anion transporter 3
Protein ID: PT06135, Solute carrier organic anion transporter family member 1A1
Cell-based Assay
Protein ID: PT06163, Solute carrier organic anion transporter family member 1A3
Protein ID: PT06133, Solute carrier organic anion transporter family member 1A4
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3
Protein ID: PT06835, Solute carrier organic anion transporter family member 1C1
Clinical Information about the Compound