General Information of the Compound
| Compound ID |
CP0354149
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| Compound Name |
7-(2-Hydroxyethyl)-3-O-rhamnosylicariin
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| Synonyms |
7-(2-Hydroxyethyl)-3-O-rhamnosylicariin
CHEMBL504656
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| Structure |
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| Formula |
C29H34O11
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| Molecular Weight |
558.58
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| Canonical SMILES |
COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(OCCO)cc(O)c2c(=O)c1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C29H34O11/c1-14(2)5-10-18-20(37-12-11-30)13-19(31)21-23(33)28(40-29-25(35)24(34)22(32)15(3)38-29)26(39-27(18)21)16-6-8-17(36-4)9-7-16/h5-9,13,15,22,24-25,29-32,34-35H,10-12H2,1-4H3/t15-,22-,24+,25+,29+/m1/s1
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| InChIKey |
MMEHTVTVEQHORK-NXPCAARESA-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
Clinical Information about the Compound