Compound Summary


  Compound Information

药名:

Silibinin

别名:

7C3MT; NSC 651520; (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-4-chromanone; Silybin (7CI); AC-6081; MEGxp0_001301; Silybine; BC216320; Spectrum3_001132; AIDS-003063; SDCCGMLS-0066916.P001; 4H-1-Benzopyran-4-one, 2-[(2R,3R)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-; SMP2_000323; KBio3_002123; 3,5,7-Trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)- 2-(hydroxymethyl)-1,4-benzodioxan-6-yl)-4-chromanone; Silibinin [INN]; AIDS003063; silybin; ZINC21992919; 3,5,7-Trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxan-6-yl)-4-chromanone; Spectrum2_001694; BB_NC-1044; NCGC00091057-01; Silibinina [INN-Spanish]; NSC651520; 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-3,5,7-trihydroxy-, (2R-(2-alpha,3-beta,6(2R*,3R*)))-; EINECS 245-302-5; (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-methylol-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one; Spectrum5_001893; Flavobin Spofa; SPECTRUM1505256; 4H-1-Benzopyran-4-one, 2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R-(2alpha,3beta,6(2R*,3R*)))-; Silibininum [INN-Latin]; Silibinine [INN-French]; Silymarin I; (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one; ZINC02033589; Silliver; Flavobin; Silymarine I; KBioGR_002481; (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one; AKOS015965310; Spectrum4_001978; SPBio_001648; BSPBio_002623;SILYBIN

分子式:

C25H22O10

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

成分:

HBIN044028;HBIN044034

OB_score:

0.92583

CAS_id:

22888-70-6

SymMap_id:

SMIT08887;SMIT17712

TCMID_id:

32977;19879

TCMSP_id:

MOL007450

PubChem_id:

31553


   化合物对应的植物
植物ID 拉丁名 药用植物名 药名 来源 功能与主治 使用民族
TCMBANKHE006366 Radix Moghaniae Philippinensis 千斤拔
TCMBANKHE006357 水飞蓟 Acute hepatitis, chronic hepatitis, cirrhosis, fatty liver, gallstones, cholangitis.
TCMBANKHE001493/XU-632 Folium Pini|Pinus massoniana 松针|马尾松 吉林省白山市抚松县 1. To tranquilize the mind. For palpitation, insomnia, amnesia. Recently used for neurasthenia, chronic Keshan disease, hypertension, coronary heart diseases and cor pulmonale. 2. External use for depriving dampness, killing parasite and alleviate itching. For exudative dermatitis, scabies and tinea./1. To tranquilize the mind. For palpitation, insomnia, amnesia. Recently used for neurasthenia, chronic Keshan disease, hypertension, coronary heart diseases and cor pulmonale. 2. External use for depriving dampness, killing parasite and alleviate itching

   植物对应的疾病
疾病ID 病名 疾病类型 MeSH 参考文献

   化合物对应的靶点
靶点ID 基因名 基因别名 描述
TCMBANKGE000137 PLAU ATF; BDPLT5; QPD; UPA; URK; u-PA plasminogen activator, urokinase
TCMBANKGE000139 POR CPR; CYPOR; P450R cytochrome p450 oxidoreductase
TCMBANKGE000181 PIM1 PIM Pim-1 proto-oncogene, serine/threonine kinase
TCMBANKGE000205 NOS2 HEP-NOS; INOS; NOS; NOS2A nitric oxide synthase 2
TCMBANKGE000241 CASP8 ALPS2B; CAP4; Casp-8; FLICE; MACH; MCH5 caspase 8
TCMBANKGE000258 EGR1 AT225; G0S30; KROX-24; NGFI-A; TIS8; ZIF-268; ZNF225 early growth response 1
TCMBANKGE000264 ABCB1 ABC20; CD243; CLCS; GP170; MDR1; P-GP; PGY1 ATP binding cassette subfamily B member 1
TCMBANKGE000276 NOS1 IHPS1; N-NOS; NC-NOS; NOS; bNOS; nNOS nitric oxide synthase 1
TCMBANKGE000315 IL4 BCGF-1; BCGF1; BSF-1; BSF1; IL-4 interleukin 4
TCMBANKGE000360 CCNA2 CCN1; CCNA cyclin A2
TCMBANKGE000624 ALPL AP-TNAP; APTNAP; HOPS; TNALP; TNAP; TNSALP alkaline phosphatase, biomineralization associated
TCMBANKGE000713 CCN2 CTGF; HCS24; IGFBP8; NOV2 cellular communication network factor 2
TCMBANKGE000728 MGMT - O-6-methylguanine-DNA methyltransferase
TCMBANKGE000749 ALOX5 5-LO; 5-LOX; 5LPG; LOG5 arachidonate 5-lipoxygenase
TCMBANKGE000766 ACHE ACEE; ARACHE; N-ACHE; YT acetylcholinesterase (Cartwright blood group)
TCMBANKGE000877 ABCG2 ABC15; ABCP; BCRP; BCRP1; BMDP; CD338; CDw338; EST157481; GOUT1; MRX; MXR; MXR-1; MXR1; UAQTL1 ATP binding cassette subfamily G member 2 (Junior blood group)
TCMBANKGE000954 ABCB11 ABC16; BRIC2; BSEP; PFIC-2; PFIC2; PGY4; SPGP ATP binding cassette subfamily B member 11
TCMBANKGE001008 CYP3A4 CP33; CP34; CYP3A; CYP3A3; CYPIIIA3; CYPIIIA4; HLP; NF-25; P450C3; P450PCN1 cytochrome P450 family 3 subfamily A member 4
TCMBANKGE001014 TNFRSF10B CD262; DR5; KILLER; KILLER/DR5; TRAIL-R2; TRAILR2; TRICK2; TRICK2A; TRICK2B; TRICKB; ZTNFR9 TNF receptor superfamily member 10b
TCMBANKGE001037 MMP2 CLG4; CLG4A; MMP-2; MMP-II; MONA; TBE-1 matrix metallopeptidase 2
TCMBANKGE001045 CCND1 BCL1; D11S287E; PRAD1; U21B31 cyclin D1
TCMBANKGE001074 ATM AT1; ATA; ATC; ATD; ATDC; ATE; TEL1; TELO1 ATM serine/threonine kinase
TCMBANKGE001089 PARP1 ADPRT; ADPRT 1; ADPRT1; ARTD1; PARP; PARP-1; PPOL; pADPRT-1 poly(ADP-ribose) polymerase 1
TCMBANKGE001107 NOS3 ECNOS; eNOS nitric oxide synthase 3
TCMBANKGE001109 ALPP ALP; ALPI; IAP; PALP; PLAP; PLAP-1 alkaline phosphatase, placental
TCMBANKGE001118 MMP9 CLG4B; GELB; MANDP2; MMP-9 matrix metallopeptidase 9
TCMBANKGE001126 NFE2L2 HEBP1; IMDDHH; NRF2; Nrf-2 nuclear factor, erythroid 2 like 2
TCMBANKGE001131 CASP9 APAF-3; APAF3; ICE-LAP6; MCH6; PPP1R56 caspase 9
TCMBANKGE001148 VEGFA MVCD1; VEGF; VPF vascular endothelial growth factor A
TCMBANKGE001156 CASP3 CPP32; CPP32B; SCA-1 caspase 3
TCMBANKGE001166 BCL2 Bcl-2; PPP1R50 BCL2 apoptosis regulator
TCMBANKGE001176 CAT - catalase
TCMBANKGE001177 TP53 BCC7; BMFS5; LFS1; P53; TRP53 tumor protein p53
TCMBANKGE001432 ALPG ALPPL; ALPPL2; GCAP alkaline phosphatase, germ cell
TCMBANKGE005226 LDHA GSD11; HEL-S-133P; LDHM; PIG19 lactate dehydrogenase A
TCMBANKGE005821 LDHC CT32; LDH3; LDHX lactate dehydrogenase C
TCMBANKGE006339 CA2 CA-II; CAC; CAII; Car2; HEL-76; HEL-S-282 carbonic anhydrase 2
TCMBANKGE006368 UGT1A1 BILIQTL1; GNT1; HUG-BR1; UDPGT; UDPGT 1-1; UGT1; UGT1A UDP glucuronosyltransferase family 1 member A1
TCMBANKGE006373 TYW1 RSAFD1; TYW1A; YPL207W tRNA-yW synthesizing protein 1 homolog
TCMBANKGE006950 CA14 CAXiV carbonic anhydrase 14
TCMBANKGE008022 AKR1C3 DD3; DDX; HA1753; HAKRB; HAKRe; HSD17B5; PGFS; hluPGFS aldo-keto reductase family 1 member C3
TCMBANKGE009863 MTRR MSR; cblE 5-methyltetrahydrofolate-homocysteine methyltransferase reductase
TCMBANKGE011031 CYP2C9 CPC9; CYP2C; CYP2C10; CYPIIC9; P450IIC9 cytochrome P450 family 2 subfamily C member 9
TCMBANKGE011356 NDOR1 CIAE1; NR1; bA350O14.9 NADPH dependent diflavin oxidoreductase 1
TCMBANKGE011364 GDF15 GDF-15; MIC-1; MIC1; NAG-1; PDF; PLAB; PTGFB growth differentiation factor 15
TCMBANKGE012726 MTTP ABL; MTP microsomal triglyceride transfer protein
TCMBANKGE012736 CA9 CAIX; MN carbonic anhydrase 9
TCMBANKGE012981 LDHB HEL-S-281; LDH-B; LDH-H; LDHBD; TRG-5 lactate dehydrogenase B
TCMBANKGE013390 CASP2 CASP-2; ICH1; NEDD-2; NEDD2; PPP1R57 caspase 2
TCMBANKGE013409 GSR GR; GSRD; HEL-75; HEL-S-122m glutathione-disulfide reductase