loading...| Preferred Name |
silibinin |
|
| Synonyms |
(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one Silibinin silibininum Flavobin Karsil Silibinine Silybin Silymarin silibinin silibinina silibinine |
|
| Definitions |
A flavonolignan isolated from milk thistle, Silybum marianum, that has been shown to exhibit antioxidant and antineoplastic activities. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9144 |
|
| charge |
0 |
|
| database_cross_reference |
Patent:CN102727484 PMID:22899727 KEGG:D08515 KNApSAcK:C00001003 PMID:22555054 PMID:23402882 Wikipedia:Silibinin PMID:23357565 PMID:23073223 KEGG:C07610 PMID:22086675 Reaxys:1632852 HMDB:HMDB0030583 CAS:22888-70-6 |
|
| formula |
C25H22O10 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_76924 |
|
| has_exact_synonym |
(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one Silibinin |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
silibininum Flavobin Karsil Silibinine Silybin Silymarin silibinin silibinina silibinine |
|
| id |
CHEBI:9144 |
|
| in_subset | ||
| 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 |
|
| inchikey |
SEBFKMXJBCUCAI-HKTJVKLFSA-N |
|
| label |
silibinin |
|
| mass |
482.43620 |
|
| monoisotopicmass |
482.12130 |
|
| notation |
CHEBI:9144 |
|
| prefLabel |
silibinin |
|
| smiles |
[H][C@@]1(Oc2cc(ccc2O[C@@H]1CO)[C@@]1([H])Oc2cc(O)cc(O)c2C(=O)[C@@H]1O)c1ccc(O)c(OC)c1 |
|
| textual definition |
A flavonolignan isolated from milk thistle, Silybum marianum, that has been shown to exhibit antioxidant and antineoplastic activities. |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_72709 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_2468 |