General Information of the Compound
| Compound ID |
CP0553238
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| Compound Name |
[(1R,2R,6R,10S,11R,15R,17R)-6-hydroxy-4,17-dimethyl-5-oxo-1-phenylmethoxy-15-prop-1-en-2-yl-12,14-dioxatetracyclo[8.7.0.02,6.011,15]heptadeca-3,8-dien-8-yl]methyl 2-phenylacetate
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| Structure |
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| Formula |
C36H40O7
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| Molecular Weight |
584.709
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| Canonical SMILES |
C[C@@H]1C[C@@]2(OCO[C@@H]2[C@@H]2C=C(COC(=O)Cc3ccccc3)C[C@@]3(O)[C@@H](C=C(C)C3=O)[C@@]12OCc1ccccc1)C(C)=C
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| InChI |
InChI=1S/C36H40O7/c1-23(2)35-18-25(4)36(42-21-27-13-9-6-10-14-27)29(33(35)41-22-43-35)16-28(19-34(39)30(36)15-24(3)32(34)38)20-40-31(37)17-26-11-7-5-8-12-26/h5-16,25,29-30,33,39H,1,17-22H2,2-4H3/t25-,29+,30-,33-,34-,35-,36-/m1/s1
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| InChIKey |
MYHPHCPRFZQRFH-LXBSFRJVSA-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