General Information of the Compound
| Compound ID |
CP0515891
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| Compound Name |
(R/S)-(2'R,8R,9S,13S,14S)-5'-allyl-3-hydroxy-13-methyl-4',5',6,7,8,9,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-17,2'-pyran]-6'(3'H)-one
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| Structure |
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| Formula |
C25H32O3
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| Molecular Weight |
380.528
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]21CCC(CC=C)C(=O)O1
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| InChI |
InChI=1S/C25H32O3/c1-3-4-16-9-13-25(28-23(16)27)14-11-22-21-7-5-17-15-18(26)6-8-19(17)20(21)10-12-24(22,25)2/h3,6,8,15-16,20-22,26H,1,4-5,7,9-14H2,2H3/t16?,20-,21-,22+,24+,25+/m1/s1
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| InChIKey |
OKENEFVVCRNONQ-PTCVVWTPSA-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