General Information of the Compound
| Compound ID |
CP0574757
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| Compound Name |
2-[(E)-[(4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-oxo-4a,5,6,7,8,9,10,11,12,12a,14,14a-dodecahydro-1H-picen-2-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 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=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]2[C@H]1C
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| InChI |
InChI=1S/C36H52O4/c1-21-12-14-33(6)16-17-35(8)25(29(33)23(21)3)10-11-27-34(7)19-24(20-39-28-18-22(2)31(38)40-28)30(37)32(4,5)26(34)13-15-36(27,35)9/h10,18,20-21,23,26-29H,11-17,19H2,1-9H3/b24-20+/t21-,23+,26+,27-,28?,29+,33-,34+,35-,36-/m1/s1
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| InChIKey |
DCXIRULKVHFWQK-JJAKORFHSA-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