id | C00040305 |
---|---|
Name | Silybin B / (-)-Silybin B |
CAS RN | 142797-34-0 |
Standard 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 |
Standard InChI (Main Layer) | 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 |
Phytochemical cluster | No. 14 |
---|---|
KCF-S cluster | No. 585 |
By standard InChI | CHEMBL592675 |
---|---|
By standard InChI Main Layer | CHEMBL9509 CHEMBL431701 CHEMBL245121 CHEMBL592675 CHEMBL1401508 CHEMBL1551617 |
By LinkDB |
---|
By CAS RN |
---|
class name | count |
---|---|
asterids | 1 |
family name | count |
---|---|
Asteraceae | 1 |
KNApSAcK organism | *ID | *family | *plant class | *kingdom |
---|---|---|---|---|
Silybum marianum | 92921 | Asteraceae | asterids | Viridiplantae |
accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
---|---|---|---|---|---|
P33527 | Multidrug resistance-associated protein 1 | drugs | CHEMBL1401508 |
CHEMBL2076018
(1)
CHEMBL2076029
(1)
|
0 / 0 |
P04637 | Cellular tumor antigen p53 | Transcription Factor | CHEMBL1401508 |
CHEMBL1613995
(1)
|
7 / 44 |
Q9UIF8 | Bromodomain adjacent to zinc finger domain protein 2B | Unclassified protein | CHEMBL431701 |
CHEMBL1738312
(1)
|
0 / 0 |
P04062 | Glucosylceramidase | Enzyme | CHEMBL431701 CHEMBL1401508 CHEMBL1551617 |
CHEMBL1613818
(3)
|
6 / 4 |
P10253 | Lysosomal alpha-glucosidase | Hydrolase | CHEMBL1401508 |
CHEMBL1614076
(1)
|
1 / 1 |
Q9Y2D0 | Carbonic anhydrase 5B, mitochondrial | Lyase | CHEMBL1401508 |
CHEMBL1227478
(1)
|
0 / 0 |
P35218 | Carbonic anhydrase 5A, mitochondrial | Lyase | CHEMBL1401508 |
CHEMBL1227477
(1)
|
0 / 0 |
P43166 | Carbonic anhydrase 7 | Lyase | CHEMBL1401508 |
CHEMBL1227480
(1)
|
0 / 0 |
Q03181 | Peroxisome proliferator-activated receptor delta | NR1C2 | CHEMBL431701 |
CHEMBL1794524
(1)
CHEMBL1794552
(1)
|
0 / 0 |
Q8N1Q1 | Carbonic anhydrase 13 | Lyase | CHEMBL1401508 |
CHEMBL1227626
(1)
|
0 / 0 |
P02545 | Prelamin-A/C | Unclassified protein | CHEMBL431701 |
CHEMBL1614544
(1)
|
11 / 10 |
P16473 | Thyrotropin receptor | Glycohormone receptor | CHEMBL431701 |
CHEMBL1614281
(1)
CHEMBL1614361
(1)
|
3 / 2 |
P10828 | Thyroid hormone receptor beta | NR1A2 | CHEMBL431701 |
CHEMBL1794399
(1)
|
3 / 1 |
P19793 | Retinoic acid receptor RXR-alpha | NR2B1 | CHEMBL431701 |
CHEMBL1794371
(1)
|
0 / 0 |
P00918 | Carbonic anhydrase 2 | Lyase | CHEMBL1401508 |
CHEMBL1227474
(1)
|
1 / 2 |
P08183 | Multidrug resistance protein 1 | drug | CHEMBL1401508 |
CHEMBL2077116
(1)
CHEMBL2075514
(1)
CHEMBL2077294 (1) CHEMBL2077296 (1) |
1 / 0 |
P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL592675 CHEMBL1401508 CHEMBL1551617 |
CHEMBL1614027
(1)
CHEMBL1743408
(2)
CHEMBL2320747 (2) |
0 / 1 |
P11473 | Vitamin D3 receptor | NR1I1 | CHEMBL431701 |
CHEMBL1794311
(1)
|
2 / 3 |
P23280 | Carbonic anhydrase 6 | Lyase | CHEMBL1401508 |
CHEMBL1227479
(1)
|
0 / 0 |
Q9ULX7 | Carbonic anhydrase 14 | Lyase | CHEMBL1401508 |
CHEMBL1227627
(1)
|
0 / 0 |
P00352 | Retinal dehydrogenase 1 | Enzyme | CHEMBL431701 CHEMBL1551617 |
CHEMBL1614458
(2)
|
0 / 0 |
P17405 | Sphingomyelin phosphodiesterase | Enzyme | CHEMBL1401508 |
CHEMBL1794495
(1)
|
2 / 2 |
O43570 | Carbonic anhydrase 12 | Lyase | CHEMBL1401508 |
CHEMBL1227625
(1)
|
1 / 2 |
Q16665 | Hypoxia-inducible factor 1-alpha | Transcription Factor | CHEMBL1401508 |
CHEMBL1614456
(1)
CHEMBL1613803
(1)
|
0 / 0 |
P84022 | Mothers against decapentaplegic homolog 3 | Unclassified protein | CHEMBL431701 |
CHEMBL1794584
(1)
|
2 / 0 |
O75496 | Geminin | Unclassified protein | CHEMBL431701 CHEMBL245121 CHEMBL1401508 |
CHEMBL2114843
(2)
CHEMBL2114780
(1)
|
0 / 0 |
P10145 | Interleukin-8 | Secreted protein | CHEMBL431701 |
CHEMBL2114835
(1)
|
0 / 0 |
P00915 | Carbonic anhydrase 1 | Lyase | CHEMBL1401508 |
CHEMBL1227473
(1)
|
0 / 0 |
P63092 | Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | Other membrane protein | CHEMBL431701 CHEMBL245121 CHEMBL1401508 |
CHEMBL2114817
(3)
|
7 / 3 |
Q9Y253 | DNA polymerase eta | Enzyme | CHEMBL245121 |
CHEMBL1794569
(1)
|
1 / 1 |
P37231 | Peroxisome proliferator-activated receptor gamma | NR1C3 | CHEMBL431701 |
CHEMBL1794510
(1)
|
5 / 3 |
P18054 | Arachidonate 12-lipoxygenase, 12S-type | Enzyme | CHEMBL1551617 |
CHEMBL1614252
(1)
|
2 / 0 |
Q96RI1 | Bile acid receptor | NR1H4 | CHEMBL431701 |
CHEMBL1794415
(1)
|
0 / 0 |
Q16790 | Carbonic anhydrase 9 | Lyase | CHEMBL1401508 |
CHEMBL1228226
(1)
|
0 / 1 |
Q99714 | 3-hydroxyacyl-CoA dehydrogenase type-2 | Enzyme | CHEMBL431701 CHEMBL1551617 |
CHEMBL1613910
(2)
CHEMBL1614227
(2)
|
3 / 3 |
Q9UNQ0 | ATP-binding cassette sub-family G member 2 | ATP binding cassette | CHEMBL1401508 |
CHEMBL2076816
(1)
CHEMBL2076817
(1)
CHEMBL2076831 (1) CHEMBL2076832 (1) |
2 / 0 |
Q92887 | Canalicular multispecific organic anion transporter 1 | Unclassified protein | CHEMBL9509 |
CHEMBL1006005
(1)
|
1 / 1 |
P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | Enzyme | CHEMBL1401508 CHEMBL1551617 |
CHEMBL1614038
(2)
|
2 / 2 |
P51449 | Nuclear receptor ROR-gamma | Nuclear hormone receptor subfamily 1 group F member 3 | CHEMBL431701 |
CHEMBL2114842
(1)
|
0 / 0 |
P03372 | Estrogen receptor | NR3A1 | CHEMBL431701 |
CHEMBL1794364
(1)
|
1 / 1 |
P16050 | Arachidonate 15-lipoxygenase | Enzyme | CHEMBL431701 CHEMBL1401508 CHEMBL1551617 |
CHEMBL1614240
(3)
|
0 / 0 |
P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL1551617 |
CHEMBL1613777
(1)
|
1 / 1 |
P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL431701 CHEMBL1401508 CHEMBL1551617 |
CHEMBL1614108
(3)
CHEMBL1613886
(3)
CHEMBL1743435 (2) CHEMBL1743466 (2) |
0 / 1 |
Q9UNA4 | DNA polymerase iota | Enzyme | CHEMBL431701 CHEMBL245121 |
CHEMBL1794483
(2)
|
0 / 0 |
P27695 | DNA-(apurinic or apyrimidinic site) lyase | Enzyme | CHEMBL1551617 |
CHEMBL1614211
(1)
|
0 / 0 |
P10636 | Microtubule-associated protein tau | Unclassified protein | CHEMBL1401508 CHEMBL1551617 |
CHEMBL1614421
(2)
CHEMBL1614502
(1)
|
4 / 3 |
Q16236 | Nuclear factor erythroid 2-related factor 2 | Unclassified protein | CHEMBL431701 |
CHEMBL2114890
(1)
|
0 / 0 |
P10275 | Androgen receptor | NR3C4 | CHEMBL431701 |
CHEMBL1794321
(1)
|
3 / 4 |
P07451 | Carbonic anhydrase 3 | Lyase | CHEMBL1401508 |
CHEMBL1227475
(1)
|
0 / 0 |
P22748 | Carbonic anhydrase 4 | Lyase | CHEMBL1401508 |
CHEMBL1227476
(1)
|
1 / 1 |
Q9UBT6 | DNA polymerase kappa | Enzyme | CHEMBL1551617 |
CHEMBL1794536
(1)
|
0 / 0 |
B2RXH2 | Lysine-specific demethylase 4E | Enzyme | CHEMBL1551617 |
CHEMBL1613914
(1)
|
0 / 0 |
Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 | Enzyme | CHEMBL245121 CHEMBL1401508 |
CHEMBL1738442
(2)
|
0 / 0 |
Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 | Enzyme | CHEMBL431701 |
CHEMBL1614364
(1)
|
1 / 1 |
O00255 | Menin | Unclassified protein | CHEMBL1551617 |
CHEMBL1614531
(1)
|
2 / 5 |
Q03164 | Histone-lysine N-methyltransferase 2A | Enzyme | CHEMBL1551617 |
CHEMBL1614531
(1)
|
1 / 3 |
O94925 | Glutaminase kidney isoform, mitochondrial | Enzyme | CHEMBL431701 |
CHEMBL2114738
(1)
|
0 / 0 |
OMIM | preferred title | UniProt |
---|---|---|
#300438 | 17-beta-hydroxysteroid dehydrogenase x deficiency |
Q99714
|
#219080 | Acth-independent macronodular adrenal hyperplasia; aimah |
P63092
|
#202300 | Adrenocortical carcinoma, hereditary; adcc |
P04637
|
#300068 | Androgen insensitivity syndrome; ais |
P10275
|
#312300 | Androgen insensitivity, partial; pais |
P10275
|
#614740 | Basal cell carcinoma, susceptibility to, 7; bcc7 |
P04637
|
#614490 | Blood group, junior system; jr |
Q9UNQ0
|
%606641 | Body mass index; bmi |
P37231
|
#115200 | Cardiomyopathy, dilated, 1a; cmd1a |
P02545
|
#212112 | Cardiomyopathy, dilated, with hypergonadotropic hypogonadism |
P02545
|
#609338 | Carotid intimal medial thickness 1 |
P37231
|
#605588 | Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 |
P02545
|
#114500 | Colorectal cancer; crc |
P18054
P84022 |
#119900 | Digital clubbing, isolated congenital |
P15428
|
#609535 | Drug metabolism, poor, cyp2c19-related |
P33261
|
#237500 | Dubin-johnson syndrome; djs |
Q92887
|
#181350 | Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 |
P02545
|
#133239 | Esophageal cancer |
P04637
P18054 |
#615363 | Estrogen resistance; estrr |
P03372
|
#600274 | Frontotemporal dementia; ftd |
P10636
|
#608013 | Gaucher disease, perinatal lethal |
P04062
|
#230800 | Gaucher disease, type i |
P04062
|
#230900 | Gaucher disease, type ii |
P04062
|
#231000 | Gaucher disease, type iii |
P04062
|
#231005 | Gaucher disease, type iiic |
P04062
|
#137800 | Glioma susceptibility 1; glm1 |
P37231
|
#232300 | Glycogen storage disease ii |
P10253
|
#605130 | Hairy elbows, short stature, facial dysmorphism, and developmental delay |
Q03164
|
#610140 | Heart-hand syndrome, slovenian type |
P02545
|
#176670 | Hutchinson-gilford progeria syndrome; hgps |
P02545
|
#143860 | Hyperchlorhidrosis, isolated |
O43570
|
#145000 | Hyperparathyroidism 1; hrpt1 |
O00255
|
#603373 | Hyperthyroidism, familial gestational |
P16473
|
#609152 | Hyperthyroidism, nonautoimmune |
P16473
|
#259100 | Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 |
P15428
|
#275200 | Hypothyroidism, congenital, nongoitrous, 1; chng1 |
P16473
|
#612244 | Inflammatory bowel disease 13; ibd13 |
P08183
|
#151623 | Li-fraumeni syndrome 1; lfs1 |
P04637
|
#151660 | Lipodystrophy, familial partial, type 2; fpld2 |
P02545
|
#604367 | Lipodystrophy, familial partial, type 3; fpld3 |
P37231
|
#613795 | Loeys-dietz syndrome, type 3; lds3 |
P84022
|
#211980 | Lung cancer |
P04637
|
#248370 | Mandibuloacral dysplasia with type a lipodystrophy; mada |
P02545
|
#174800 | Mccune-albright syndrome; mas |
P63092
|
#300705 | Mental retardation, x-linked 17; mrx17 |
Q99714
|
#300220 | Mental retardation, x-linked, syndromic 10; mrxs10 |
Q99714
|
#131100 | Multiple endocrine neoplasia, type i; men1 |
O00255
|
#613205 | Muscular dystrophy, congenital, lmna-related |
P02545
|
#159001 | Muscular dystrophy, limb-girdle, type 1b; lgmd1b |
P02545
|
#607948 | Mycobacterium tuberculosis, susceptibility to |
P11473
|
#257200 | Niemann-pick disease, type a |
P17405
|
#607616 | Niemann-pick disease, type b |
P17405
|
#601665 | Obesity |
P37231
|
#166350 | Osseous heteroplasia, progressive; poh |
P63092
|
#259730 | Osteopetrosis, autosomal recessive 3; optb3 |
P00918
|
#260500 | Papilloma of choroid plexus; cpp |
P04637
|
#168600 | Parkinson disease, late-onset; pd |
P04062
|
#260540 | Parkinson-dementia syndrome |
P10636
|
#172700 | Pick disease of brain |
P10636
|
#102200 | Pituitary adenoma, growth hormone-secreting |
P63092
|
#103580 | Pseudohypoparathyroidism, type ia; php1a |
P63092
|
#603233 | Pseudohypoparathyroidism, type ib; php1b |
P63092
|
#612462 | Pseudohypoparathyroidism, type ic; php1c |
P63092
|
#275210 | Restrictive dermopathy, lethal |
P02545
|
#600852 | Retinitis pigmentosa 17; rp17 |
P22748
|
#313200 | Spinal and bulbar muscular atrophy, x-linked 1; smax1 |
P10275
|
#607250 | Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 |
Q9NUW8
|
#275355 | Squamous cell carcinoma, head and neck; hnscc |
P04637
|
#601104 | Supranuclear palsy, progressive, 1; psnp1 |
P10636
|
#188570 | Thyroid hormone resistance, generalized, autosomal dominant; grth |
P10828
|
#274300 | Thyroid hormone resistance, generalized, autosomal recessive; grth |
P10828
|
#145650 | Thyroid hormone resistance, selective pituitary; prth |
P10828
|
#138900 | Uric acid concentration, serum, quantitative trait locus 1; uaqtl1 |
Q9UNQ0
|
#277440 | Vitamin d-dependent rickets, type 2a; vddr2a |
P11473
|
#278750 | Xeroderma pigmentosum, variant type; xpv |
Q9Y253
|
KEGG | disease name | UniProt |
---|---|---|
H00033 | Adrenal carcinoma |
O00255
(related)
P04637 (related) |
H00034 | Carcinoid |
O00255
(related)
|
H00045 | Malignant islet cell carcinoma |
O00255
(related)
|
H00246 | Primary hyperparathyroidism |
O00255
(related)
|
H01102 | Pituitary adenomas |
O00255
(related)
|
H01302 | Hyperchlorhidrosis isolated (HCHLH) |
O43570
(related)
|
H00021 | Renal cell carcinoma |
O43570
(marker)
P04637 (marker) Q16790 (marker) |
H00241 | Combined proximal and distal renal tubular acidosis (RTA type 3) |
P00918
(related)
|
H00436 | Osteopetrosis |
P00918
(related)
|
H00264 | Charcot-Marie-Tooth disease (CMT) |
P02545
(related)
|
H00294 | Dilated cardiomyopathy (DCM) |
P02545
(related)
|
H00420 | Familial partial lipodystrophy (FPL) |
P02545
(related)
P37231 (related) |
H00563 | Emery-Dreifuss muscular dystrophy |
P02545
(related)
|
H00590 | Congenital muscular dystrophies (CMD/MDC) |
P02545
(related)
|
H00593 | Limb-girdle muscular dystrophy (LGMD) |
P02545
(related)
|
H00601 | Hutchinson-Gilford progeria syndrome |
P02545
(related)
|
H00663 | Restrictive dermopathy |
P02545
(related)
|
H00665 | Mandibuloacral dysplasia |
P02545
(related)
|
H01216 | Left ventricular noncompaction (LVNC) |
P02545
(related)
|
H00026 | Endometrial Cancer |
P03372
(marker)
P04637 (related) |
H00066 | Lewy body dementia (LBD) |
P04062
(related)
|
H00126 | Gaucher disease |
P04062
(related)
|
H00426 | Defects in the degradation of ganglioside |
P04062
(related)
|
H00810 | Progressive myoclonic epilepsy (PME) |
P04062
(related)
|
H00004 | Chronic myeloid leukemia (CML) |
P04637
(related)
|
H00005 | Chronic lymphocytic leukemia (CLL) |
P04637
(related)
|
H00006 | Hairy-cell leukemia |
P04637
(related)
|
H00008 | Burkitt lymphoma |
P04637
(related)
|
H00009 | Adult T-cell leukemia |
P04637
(related)
|
H00010 | Multiple myeloma |
P04637
(related)
|
H00013 | Small cell lung cancer |
P04637
(related)
|
H00014 | Non-small cell lung cancer |
P04637
(related)
|
H00015 | Malignant pleural mesothelioma |
P04637
(related)
|
H00016 | Oral cancer |
P04637
(related)
P04637 (marker) |
H00017 | Esophageal cancer |
P04637
(related)
P04637 (marker) |
H00018 | Gastric cancer |
P04637
(related)
|
H00019 | Pancreatic cancer |
P04637
(related)
P04637 (marker) |
H00020 | Colorectal cancer |
P04637
(related)
P04637 (marker) |
H00022 | Bladder cancer |
P04637
(related)
|
H00025 | Penile cancer |
P04637
(related)
P04637 (marker) |
H00027 | Ovarian cancer |
P04637
(related)
|
H00028 | Choriocarcinoma |
P04637
(related)
|
H00029 | Vulvar cancer |
P04637
(related)
|
H00031 | Breast cancer |
P04637
(related)
|
H00032 | Thyroid cancer |
P04637
(related)
P37231 (related) |
H00036 | Osteosarcoma |
P04637
(related)
P08684 (marker) |
H00038 | Malignant melanoma |
P04637
(related)
|
H00039 | Basal cell carcinoma |
P04637
(related)
|
H00040 | Squamous cell carcinoma |
P04637
(related)
|
H00041 | Kaposi's sarcoma |
P04637
(related)
|
H00042 | Glioma |
P04637
(related)
P04637 (marker) |
H00044 | Cancer of the anal canal |
P04637
(related)
|
H00046 | Cholangiocarcinoma |
P04637
(related)
|
H00047 | Gallbladder cancer |
P04637
(related)
|
H00048 | Hepatocellular carcinoma |
P04637
(related)
|
H00055 | Laryngeal cancer |
P04637
(related)
P04637 (marker) |
H00881 | Li-Fraumeni syndrome |
P04637
(related)
|
H01007 | Choroid plexus papilloma |
P04637
(related)
|
H00069 | Glycogen storage diseases (GSD) |
P10253
(related)
|
H00024 | Prostate cancer |
P10275
(related)
|
H00062 | Spinal and bulbar muscular atrophy (SBMA) |
P10275
(related)
|
H00608 | 46,XY disorders of sex development (Disorders in androgen synthesis or action) |
P10275
(related)
|
H00609 | 46,XY disorders of sex development (Other) |
P10275
(related)
|
H00058 | Amyotrophic lateral sclerosis (ALS) |
P10636
(related)
|
H00077 | Progressive supranuclear palsy (PSP) |
P10636
(related)
|
H00078 | Frontotemporal lobar degeneration (FTLD) |
P10636
(related)
|
H00249 | Thyroid hormone resistance syndrome |
P10828
(related)
|
H00342 | Tuberculosis |
P11473
(related)
|
H00784 | Localized autosomal recessive hypotrichosis |
P11473
(related)
|
H01143 | Vitamin D-dependent rickets |
P11473
(related)
|
H01205 | Coumarin resistance |
P11712
(related)
|
H00457 | Primary hypertrophic osteoarthropathy (PHO) |
P15428
(related)
|
H01246 | Isolated congenital nail clubbing (ICNC) |
P15428
(related)
|
H00250 | Congenital nongoitrous hypothyroidism (CHNG) |
P16473
(related)
|
H01269 | Congenital hyperthyroidism |
P16473
(related)
|
H00137 | Niemann-Pick disease (NPD) typeA and B |
P17405
(related)
|
H00424 | Defects in the degradation of sphingomyelin |
P17405
(related)
|
H00527 | Retinitis pigmentosa (RP) |
P22748
(related)
|
H01171 | Poor drug metabolism (PM) |
P33261
(related)
|
H00409 | Type II diabetes mellitus |
P37231
(related)
|
H00244 | Pseudohypoparathyroidism |
P63092
(related)
|
H00441 | Progressive osseous heteroplasia (POH) |
P63092
(related)
|
H00501 | Fibrous dysplasia, polyostotic |
P63092
(related)
|
H00001 | Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) |
Q03164
(related)
Q03164 (marker) |
H00002 | Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) |
Q03164
(related)
|
H00208 | Hyperbilirubinemia |
Q92887
(related)
|
H00480 | Non-syndromic X-linked mental retardation |
Q99714
(related)
|
H00658 | Syndromic X-linked mental retardation |
Q99714
(related)
|
H00925 | 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency |
Q99714
(related)
|
H00063 | Spinocerebellar ataxia (SCA) |
Q9NUW8
(related)
|
H00403 | Disorders of nucleotide excision repair |
Q9Y253
(related)
|