General Information of the Compound
| Compound ID |
CP0533860
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| Compound Name |
(3'R,5R,5'S,8S,9S,10S,11S,14R,17R)-11-hydroxy-5'-[(1R)-1-hydroxy-2-methylprop-2-enyl]-3',4,4,8,10,14-hexamethylspiro[2,5,6,7,9,11,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
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| Structure |
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| Formula |
C30H46O4
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| Molecular Weight |
470.694
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| Canonical SMILES |
C[C@@H]1C[C@H](O[C@]11CC[C@@]2(C)C1=C[C@H](O)[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C)[C@H](O)C(C)=C
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| InChI |
InChI=1S/C30H46O4/c1-17(2)24(33)20-15-18(3)30(34-20)14-13-28(7)22(30)16-19(31)25-27(6)11-10-23(32)26(4,5)21(27)9-12-29(25,28)8/h16,18-21,24-25,31,33H,1,9-15H2,2-8H3/t18-,19+,20+,21+,24-,25+,27+,28+,29+,30-/m1/s1
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| InChIKey |
GWWNTMXDPAQSNY-DKZFEZHHSA-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