General Information of the Compound
| Compound ID |
CP0850589
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| Compound Name |
(2R,3R)-5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)chroman-3-yl 2-(3,4-dimethoxyphenyl)acetate
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| Structure |
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| Formula |
C30H34O10
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| Molecular Weight |
554.592
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| Canonical SMILES |
COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)Cc1ccc(OC)c(OC)c1)C2
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| InChI |
InChI=1S/C30H34O10/c1-32-19-14-22(34-3)20-16-27(39-28(31)11-17-8-9-21(33-2)24(10-17)35-4)29(40-23(20)15-19)18-12-25(36-5)30(38-7)26(13-18)37-6/h8-10,12-15,27,29H,11,16H2,1-7H3/t27-,29-/m1/s1
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| InChIKey |
SPKHFHAHOTXMCO-XRKRLSELSA-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