General Information of the Compound
| Compound ID |
CP0476032
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| Compound Name |
Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-triacetoxy-1-hydroxy-1-[2-((R)-2-methoxy-phenyl)-pent-4-enyl]-2,4a,11b-trimethyl-1,2,3,4,4a,4b,5,6,9,11a,11b,12,13,13a-tetradecahydro-8-oxa-cyclohepta[a]phenanthren-6a-yl}-ethyl ester
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| Structure |
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| Formula |
C43H58O11
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| Molecular Weight |
750.926
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| Canonical SMILES |
COc1ccccc1[C@H](CC=C)CC1(O)C2CC[C@@]3(C)C4C=CCOC[C@]4([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C3[C@@]2(C)[C@H](OC(C)=O)C=C1C
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| InChI |
InChI=1S/C43H58O11/c1-11-15-31(32-16-12-13-17-33(32)49-10)23-43(48)25(2)22-36(52-28(5)45)41(9)35(43)19-20-40(8)34-18-14-21-50-24-42(34,26(3)51-27(4)44)39(54-30(7)47)37(38(40)41)53-29(6)46/h11-14,16-18,22,26,31,34-39,48H,1,15,19-21,23-24H2,2-10H3/t26-,31-,34?,35?,36-,37+,38?,39+,40+,41-,42-,43?/m1/s1
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| InChIKey |
OBPSDRDYLFGIBN-DRHDHJEXSA-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