General Information of the Compound
| Compound ID |
CP0035010
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| Compound Name |
(2R,3R)-3,5,7-Trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-2-hydroxymethyl-2,3-dihydro-benzo[1,4]dioxin-6-yl]-chroman-4-one
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| Synonyms |
(2R,3R)-3,5,7-trihydroxy-2-((2R,3R)-3-(4-hydroxy-
22888-70-6
33X338MNE4
7C3MT
C25H22O10
CHEBI:9144
DSSTox_CID_6018
DSSTox_GSID_26018
DSSTox_RID_77985
EINECS 245-302-5
Flavobin
Flavobin Spofa
NCGC00091057-01
NSC 651520
NSC651520
Silibin
Silibinin
Silibinin (INN)
Silibinin A
Silibinin [INN]
Silibinina
Silibinina [INN-Spanish]
Silibinine
Silibinine [INN-French]
Silibininum
Silibininum [INN-Latin]
Silimarin
Silliver
Silybin
Silybin A
Silybine
Silymarin I
Silymarine
Silymarine I
UNII-33X338MNE4
silibinin
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| Structure |
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| Formula |
C25H22O10
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| Molecular Weight |
482.441
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| Canonical SMILES |
COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O
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| InChI |
InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
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| InChIKey |
SEBFKMXJBCUCAI-HKTJVKLFSA-N
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| CAS |
22888-70-6
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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
Protein ID: PT06109, Geminin
Protein ID: PT07092, Solute carrier family 2, facilitated glucose transporter member 4
Clinical Information about the Compound