Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01185
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| Drug Name |
Silymarin
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| Synonyms |
(2S)-3,5,7-trihydroxy-2-[(2S,3R)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one; (2S)-3,5,7-trihydroxy-2-[(2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one; 84604-20-6; A835184; AN-35849; FT-0656490; Milk thistle extract; Sabal serrulata extract
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| Drug Type |
Small molecular drug
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| Structure |
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| 3D MOL | 2D MOL | |||||
| Formula |
C25H22O10
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| Canonical SMILES |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
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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-/m0/s1
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| InChIKey |
SEBFKMXJBCUCAI-VGHNRKBZSA-N
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| CAS Number |
CAS 22888-70-6
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| Pharmaceutical Properties | Molecular Weight | 482.4 | Topological Polar Surface Area | 155 | ||
| Heavy Atom Count | 35 | Rotatable Bond Count | 4 | |||
| Hydrogen Bond Donor Count | 5 | Hydrogen Bond Acceptor Count | 10 | |||
| XLogP |
2.4
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| PubChem CID | ||||||
| PubChem SID | ||||||
| TTD Drug ID | ||||||
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