General Information of the Compound
| Compound ID |
CP0477165
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| Compound Name |
2-[(E)-[(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-9-oxo-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-10-ylidene]methoxy]-4-methyl-2H-furan-5-one
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| Structure |
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| Formula |
C36H52O4
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| Molecular Weight |
548.808
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| Canonical SMILES |
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C\C(=C/OC6OC(=O)C(C)=C6)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
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| InChI |
InChI=1S/C36H52O4/c1-21(2)24-12-14-33(6)16-17-35(8)25(29(24)33)10-11-27-34(7)19-23(20-39-28-18-22(3)31(38)40-28)30(37)32(4,5)26(34)13-15-36(27,35)9/h18,20,24-29H,1,10-17,19H2,2-9H3/b23-20+/t24-,25+,26-,27+,28?,29+,33+,34-,35+,36+/m0/s1
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| InChIKey |
ZJOZGQLHOMMRER-PTTDAJIRSA-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