General Information of the Compound
| Compound ID |
CP0438379
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| Compound Name |
(4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-3-oxo-5,6,7,8,9,10,12,12a,14,14a-decahydro-4aH-picene-2-carboxylic acid
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| Structure |
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| Formula |
C32H46O5
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| Molecular Weight |
510.715
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| Canonical SMILES |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C=C(C(O)=O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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| InChI |
InChI=1S/C32H46O5/c1-27(2)13-15-32(26(36)37-8)16-14-30(6)20(21(32)18-27)9-10-23-29(5)17-19(25(34)35)24(33)28(3,4)22(29)11-12-31(23,30)7/h9,17,21-23H,10-16,18H2,1-8H3,(H,34,35)/t21-,22-,23+,29-,30+,31+,32-/m0/s1
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| InChIKey |
TWMLFMLCSZEXJZ-ZTEJNSIYSA-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