General Information of the Compound
| Compound ID |
CP0559461
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| Compound Name |
(1S,2R,7S,9R,11R,12S,13S,18R)-1,2,13,17,17-pentamethyl-9-propan-2-yl-5-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-8,10-dioxapentacyclo[10.8.0.02,6.07,11.013,18]icos-5-en-16-one
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| Structure |
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| Formula |
C34H56O6
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| Molecular Weight |
560.816
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| Canonical SMILES |
CC(C)[C@@H]1O[C@H]2[C@@H](O1)C1=C(CC[C@]1(C)[C@@]1(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]21)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O
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| InChI |
InChI=1S/C34H56O6/c1-18(2)29-39-25-24-20(19(3)17-21(35)28(37)31(6,7)38)11-15-33(24,9)34(10)16-12-22-30(4,5)23(36)13-14-32(22,8)27(34)26(25)40-29/h18-19,21-22,25-29,35,37-38H,11-17H2,1-10H3/t19-,21+,22+,25+,26+,27+,28-,29+,32+,33+,34+/m1/s1
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| InChIKey |
GMCPDTTYWMIGOV-ARGYATHLSA-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