General Information of the Compound
| Compound ID |
CP0556576
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| Compound Name |
(5R,7R,8S,9S,10S,11R,12R,14R)-7,11,12-trihydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C30H50O7
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| Molecular Weight |
522.723
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| Canonical SMILES |
C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2[C@@H](O)[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H](O)[C@]3(C)[C@@]2(C)CC1
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| InChI |
InChI=1S/C30H50O7/c1-15(13-17(31)25(36)27(4,5)37)16-9-12-29(7)21(16)22(34)23(35)24-28(6)11-10-19(32)26(2,3)18(28)14-20(33)30(24,29)8/h15,17-18,20,22-25,31,33-37H,9-14H2,1-8H3/t15-,17+,18+,20-,22-,23+,24+,25-,28+,29+,30+/m1/s1
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| InChIKey |
YIUDTDMTOMAGPZ-QWDAHRHVSA-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