General Information of the Compound
| Compound ID |
CP0541564
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| Compound Name |
Aceticacid(R)-1-((4R,4aR,5S,6R,6aR,11bS)-4,5,6-triacetoxy-1-hydroxy-2,4a,11b-trimethyl-1-phenyl-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 |
C37H48O10
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| Molecular Weight |
652.781
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| Canonical SMILES |
C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3[C@](C)([C@H](OC(C)=O)C=C(C)C3(O)c3ccccc3)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O
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| InChI |
InChI=1S/C37H48O10/c1-21-19-30(45-24(4)39)35(8)29(37(21,42)27-13-10-9-11-14-27)16-17-34(7)28-15-12-18-43-20-36(28,22(2)44-23(3)38)33(47-26(6)41)31(32(34)35)46-25(5)40/h9-15,19,22,28-33,42H,16-18,20H2,1-8H3/t22-,28?,29?,30-,31+,32?,33+,34+,35-,36-,37?/m1/s1
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| InChIKey |
QXXCYHRHLNMEQZ-ZEPODRDZSA-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