Compound Description

ID:   C0406 Common name:   Simvastatin
IUPAC:  [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate CAS:  CAS:79902-63-9
Chembl ID:   CHEMBL1064 Pubchem ID:   CID:54454
Formula:  C25H38O5 TCM-ID:  TCMC2082
Smiles:  CCC(C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)(C)C
Alias:

Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1α,3α,7β,8β(2S*,4S*),8aβ]]-;

(+)-Simvastatin;

Apo-Simva;

Apo-Simvastatin;

Bestatin 20;

Cholestat;

Co-Simvastatin;

Denan;

Egilipid;

Eucor;

Kolestevan;

L 644128-000U;

Lipex;

Lipinorm;

Liponorm;

Lipovas;

Lodales;

Lycostatin;

MK 733;

Modutrol;

Nor-Vastina;

Novo-Simvastatin;

Pms-simvastatin;

Rechol;

Simastin 20;

Simcovas;

Simgal;

Simi 20;

Simlip;

Simlip 20;

Simlo 20;

Simlup 20;

Simovil;

Simratio;

Simvacard;

Simvachol;

Simvacor;

Simvahexal;

Simvas;

Simvastatin;

Simvastatin lactone;

Simvasterol;

Simvastol;

Simvofix;

Simvotin;

Sinvacor;

Sinvascor;

Sivastin;

Starstat 20;

Synvinolin;

Valemia;

Vasilip;

Vastan;

Vazilip;

Velostatin;

Ximve;

Zocor;

Zocor Forte;

Zocord;

Zorced;

Zosta
Structure:

Related Targets  (Total: 70)

Target idProtein NameGene SymbolUniprot IDTarget LevelNo.of Literature Evidence
T21Q0D 3-hydroxy-3-methylglutaryl-coenzyme A reductaseHMGCR P04035
A 26 Reference(s)
T47H3O Heat shock protein HSP 90-alphaHSP90AA1 P07900
A 2 Reference(s)
T05WU9 Serine/threonine-protein phosphatase 2A activatorPTPA Q15257
A 1 Reference(s)
T51EKP Apolipoprotein MAPOM O95445
A 1 Reference(s)
T91OUC Mucin-5ACMUC5AC P98088
A 1 Reference(s)
T33JS5 CCN family member 2CCN2 P29279
A 2 Reference(s)
T65TD1 NAMIR192 NA
A 1 Reference(s)
T75A0Y Citrate synthase, mitochondrialCS O75390
A 1 Reference(s)
T67NYW Protein phosphatase 1APPM1A P35813
A 1 Reference(s)
T86CQC Glutamate receptor ionotropic, NMDA 1GRIN1 Q05586
A 1 Reference(s)
T79WXA Mitogen-activated protein kinase 1MAPK1 P28482
A 3 Reference(s)
T31SX8 Bone morphogenetic protein 2BMP2 P12643
A 1 Reference(s)
T28PHS Angiotensin-converting enzymeACE P12821
A 1 Reference(s)
T16A2X CatalaseCAT P04040
A 1 Reference(s)
T53Z7Y Transcriptional coactivator YAP1YAP1 P46937
A 1 Reference(s)
T25RHJ Sodium-dependent serotonin transporterSLC6A4 P31645
A 1 Reference(s)
T29BZ9 Keratin, type II cytoskeletal 6AKRT6A P02538
A 1 Reference(s)
T80SD7 Sterol regulatory element-binding protein 2SREBF2 Q12772
A 1 Reference(s)
T11BI7 Toll-like receptor 4TLR4 O00206
A 3 Reference(s)
T57R3V Proliferation marker protein Ki-67MKI67 P46013
A 1 Reference(s)
T16MRU NACHT, LRR and PYD domains-containing protein 3NLRP3 Q96P20
B 2 Reference(s)
T20E5P Cytochrome b-245 heavy chainCYBB P04839
B 1 Reference(s)
T35KD8 C-C chemokine receptor type 3CCR3 P51677
B 1 Reference(s)
T88TDZ RAC-alpha serine/threonine-protein kinaseAKT1 P31749
B 2 Reference(s)
T24CXU CCAAT/enhancer-binding protein deltaCEBPD P49716
B 1 Reference(s)
T93VFT Endothelin-1EDN1 P05305
C 1 Reference(s)
T23VMI Tumor necrosis factorTNF P01375
C 5 Reference(s)
T92HNO High mobility group protein B1HMGB1 P09429
C 3 Reference(s)
T51DHZ Protein C-ets-1ETS1 P14921
C 1 Reference(s)
T05YJ9 Krueppel-like factor 1KLF1 Q13351
C 2 Reference(s)
T42EAZ Vascular endothelial growth factor AVEGFA P15692
C 3 Reference(s)
T54BUS B-cell lymphoma/leukemia 11ABCL11A Q9H165
C 1 Reference(s)
T61J7T Mothers against decapentaplegic homolog 2SMAD2 Q15796
C 2 Reference(s)
T78O6C Mothers against decapentaplegic homolog 3SMAD3 P84022
C 2 Reference(s)
T92P67 Vasodilator-stimulated phosphoproteinVASP P50552
C 1 Reference(s)
T38WWN Serum paraoxonase/arylesterase 1PON1 P27169
C 1 Reference(s)
T52VL6 Signal transducer and activator of transcription 5ASTAT5A P42229
C 1 Reference(s)
T19K8W Signal transducer and activator of transcription 5BSTAT5B P51692
C 1 Reference(s)
T70EB9 NephrinNPHS1 O60500
C 2 Reference(s)
T95IYZ AdiponectinADIPOQ Q15848
C 1 Reference(s)
T10ICM Oxidized low-density lipoprotein receptor 1OLR1 P78380
C 1 Reference(s)
T01QLH Estrogen receptorESR1 P03372
C 2 Reference(s)
T46J84 Nicotinamide phosphoribosyltransferaseNAMPT P43490
C 1 Reference(s)
T94H37 Cadherin-1CDH1 P12830
C 1 Reference(s)
T53AOE Transforming growth factor beta-1 proprotein [Cleaved into: Latency-associated peptideTGFB1 P01137
C 1 Reference(s)
T28IEO PodocinNPHS2 Q9NP85
C 1 Reference(s)
T59IKQ Vascular cell adhesion protein 1VCAM1 P19320
C 1 Reference(s)
T36SOV Plasminogen activator inhibitor 1SERPINE1 P05121
C 1 Reference(s)
T25NSJ Mitogen-activated protein kinase 3MAPK3 P27361
C 1 Reference(s)
T40JZG GPI-anchor transamidasePIGK Q92643
C 1 Reference(s)
T64UH1 Nitric oxide synthase, endothelialNOS3 P29474
C 3 Reference(s)
T22N8Q Rho-related GTP-binding protein RhoBRHOB P62745
C 1 Reference(s)
T86ROZ Heme oxygenase 1HMOX1 P09601
C 1 Reference(s)
T50SX0 Nuclear receptor subfamily 1 group I member 2NR1I2 O75469
C 1 Reference(s)
T21UJU Troponin I, cardiac muscleTNNI3 P19429
C 1 Reference(s)
T50FHQ TGF-beta receptor type-2TGFBR2 P37173
C 1 Reference(s)
T38MJF Endothelial cell-specific molecule 1ESM1 Q9NQ30
C 1 Reference(s)
T22OPB Nuclear factor erythroid 2-related factor 2NFE2L2 Q16236
C 1 Reference(s)
T65S3S Tyrosine-protein kinase JAK2JAK2 O60674
C 1 Reference(s)
T29B10 Interleukin-17AIL17A Q16552
C 2 Reference(s)
T36THI C-X-C motif chemokine 13CXCL13 O43927
C 1 Reference(s)
T82F70 Urokinase plasminogen activator surface receptorPLAUR Q03405
C 1 Reference(s)
T17UP9 C-C motif chemokine 2CCL2 P13500
C 2 Reference(s)
T70VMI Nitric oxide synthase, brainNOS1 P29475
C 1 Reference(s)
T64BTV Interleukin-1 betaIL1B P01584
C 1 Reference(s)
T33OPP Interleukin-6IL6 P05231
C 1 Reference(s)
T56Q6C C-C motif chemokine 3-like 1CCL3L1; CCL3L3 P16619
C 1 Reference(s)
T49TDM Matrix metalloproteinase-9MMP9 P14780
C 1 Reference(s)
T54CIF Interleukin-8CXCL8 P10145
C 1 Reference(s)
T81I4T 5'-AMP-activated protein kinase catalytic subunit alpha-1PRKAA1 Q13131
C 1 Reference(s)

*In this table, target level represents the quality confidence indicators of targets.
Level 'A' represents "Directly inhibit/activate".
Level 'B' represents "Indirectly inhibit/ activate", "Enzyme substate" and "Enzyme product".
Level 'C' represents "Up/Down regulation" and "Others".

Related Herbs  (Total: 2)

Herb idChinese Pin YinChinese CharacterEnglish NameLatin Name
H0847 Zi He Che紫河车 Human placentaHomo sapiens
H0360 Ren Zhong Bai人中白 Human urine sedimentHomo sapiens