General Information of the Compound
| Compound ID |
CP0066372
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| Compound Name |
methyl (Z)-4-[12-methoxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoate
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| Structure |
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| Formula |
C40H48O8
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| Molecular Weight |
656.816
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| Canonical SMILES |
COC(=O)C(\C)=C/CC12OC(C)(C)C3CC(C=C4C(=O)c5c(OC)c6C=CC(C)(CCC=C(C)C)Oc6c(CC=C(C)C)c5OC134)C2=O
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| InChI |
InChI=1S/C40H48O8/c1-22(2)12-11-17-38(8)18-16-27-32(46-38)26(14-13-23(3)4)34-30(33(27)44-9)31(41)28-20-25-21-29-37(6,7)48-39(35(25)42,40(28,29)47-34)19-15-24(5)36(43)45-10/h12-13,15-16,18,20,25,29H,11,14,17,19,21H2,1-10H3/b24-15-
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| InChIKey |
LFSCNWNADRUBLS-IWIPYMOSSA-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