General Information of the Compound
| Compound ID |
CP0283462
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| Compound Name |
4-[12,18-dihydroxy-8,21,21-trimethyl-5-(3-methylbutyl)-8-(4-methylpentyl)-14-oxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbutanoic acid
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| Structure |
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| Formula |
C38H54O8
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| Molecular Weight |
638.842
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| Canonical SMILES |
CC(C)CCCC1(C)Oc2c(CCC(C)C)c3OC45C6CC(CC4C(=O)c3c(O)c2C=C1)C(O)C5(CCC(C)C(O)=O)OC6(C)C
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| InChI |
InChI=1S/C38H54O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h14,16,20-23,26-27,33,39,41H,9-13,15,17-19H2,1-8H3,(H,42,43)
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| InChIKey |
ZZGVJHSBRGZEML-UHFFFAOYSA-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: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3