General Information of the Compound
| Compound ID |
CP0553042
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| Compound Name |
phenyl (9S,10S,11R)-10-hydroxy-3,4,5,18-tetramethoxy-9,10-dimethyltetracyclo[10.6.0.02,7.014,17]octadeca-1(12),2,4,6,13,17-hexaene-11-carboxylate
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| Formula |
C31H34O7
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| Molecular Weight |
518.606
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| Canonical SMILES |
COc1cc2C[C@H](C)[C@](C)(O)[C@H](C(=O)Oc3ccccc3)c3cc4CCc4c(OC)c3-c2c(OC)c1OC
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| InChI |
InChI=1S/C31H34O7/c1-17-14-19-16-23(34-3)28(36-5)29(37-6)24(19)25-22(15-18-12-13-21(18)27(25)35-4)26(31(17,2)33)30(32)38-20-10-8-7-9-11-20/h7-11,15-17,26,33H,12-14H2,1-6H3/t17-,26-,31-/m0/s1
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| InChIKey |
UGKBUZRULUXLLI-HLSZOEHGSA-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