General Information of the Compound
| Compound ID |
CP0562530
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| Compound Name |
[(3R,4S,6R)-2,4-dihydroxy-6-[(5R,8S,9S,10R,12R,14R,16S)-12-hydroxy-16-methoxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] acetate
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| Structure |
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| Formula |
C33H54O7
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| Molecular Weight |
562.788
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| Canonical SMILES |
CO[C@H]1C[C@@]2(C)C([C@H](O)C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)=C1[C@H](C)C[C@H](O)[C@@H](OC(C)=O)C(C)(C)O
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| InChI |
InChI=1S/C33H54O7/c1-18(15-21(36)28(30(5,6)38)40-19(2)34)26-22(39-10)17-33(9)27(26)20(35)16-24-31(7)13-12-25(37)29(3,4)23(31)11-14-32(24,33)8/h18,20-24,28,35-36,38H,11-17H2,1-10H3/t18-,20-,21+,22+,23+,24+,28-,31+,32+,33+/m1/s1
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| InChIKey |
MMSCSHVTCNYOAT-VWDUMGLQSA-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