异戊烯醇脂质

SN-2

技术标识符

IUPAC名称

5-mesityl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene

SMILES

Cc1cc(C)c(c(c1)C)C1=NOC2C1C1CCC2C1

InChIKey

WKLZNTYMDOPBSE-UHFFFAOYSA-N

InChI

1S/C17H21NO/c1-9-6-10(2)14(11(3)7-9)16-15-12-4-5-13(8-12)17(15)19-18-16/h6-7,12-13,15,17H,4-5,8H2,1-3H3

关联靶标

Mucolipin-3

S-5751

技术标识符

IUPAC名称

(Z)-7-[(1R,2R,3R,5S)-2-[(5-hydroxy1-benzothiophene-3-carbonyl)amino]-7,7-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

SMILES

OC(=O)CCC/C=C\C[C@@H]1C[C@H]2C[C@@H]([C@@H]1NC(=O)c1csc3c1cc(O)cc3)C2(C)C

InChIKey

ZXBHFWFKSIYJEK-VAIANQQOSA-N

InChI

1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-10-9-17(27)13-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16+,20+,23-/m显示更多

关联靶标

Prostaglandin D2 receptor, Thromboxane A2 receptor

P'-geranyl 3,5,9-trihydroxy-3-methylnonanate 9-diphosphate

技术标识符

IUPAC名称

9-[[[(2E)-3,7-dimethylocta-2,6-dienoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,5-dihydroxy-3-methylnonanoic acid

SMILES

OC(CC(CC(=O)O)(O)C)CCCCOP(=O)(OP(=O)(OC/C=C(/CCC=C(C)C)\C)O)O

InChIKey

PMUQIJKCGIYWGT-GZTJUZNOSA-N

InChI

1S/C20H38O11P2/c1-16(2)8-7-9-17(3)11-13-30-33(27,28)31-32(25,26)29-12-6-5-10-18(21)14-20(4,24)15-19(22)23/h8,11,18,21,24H,5-7,9-10,12-15H2,1-4H3,(H,22,23)(H,25,26)(H,27,28)/b17-11+

关联靶标

Diphosphomevalonate decarboxylase

P'-geranyl 3,5,7-trihydroxy-3-methylheptanate 7-diphosphate

技术标识符

IUPAC名称

7-({[({[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3,5-dihydroxy-3-methylheptanoic acid

SMILES

C/C(=C\COP(=O)(OP(=O)(OCCC(CC(CC(=O)O)(O)C)O)O)O)/CCC=C(C)C

InChIKey

WJXJJEWDRXZOEO-OVCLIPMQSA-N

InChI

1S/C18H34O11P2/c1-14(2)6-5-7-15(3)8-10-27-30(23,24)29-31(25,26)28-11-9-16(19)12-18(4,22)13-17(20)21/h6,8,16,19,22H,5,7,9-13H2,1-4H3,(H,20,21)(H,23,24)(H,25,26)/b15-8+

关联靶标

Diphosphomevalonate decarboxylase

P'-geranyl 2-fluoromevalonate 5-diphosphate

技术标识符

IUPAC名称

5-({[({[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-fluoro-3-hydroxy-3-methylpentanoic acid

SMILES

C/C(=C\COP(=O)(OP(=O)(OCCC(C(C(=O)O)F)(O)C)O)O)/CCC=C(C)C

InChIKey

ACYPMTKDKJZHBJ-MDWZMJQESA-N

InChI

1S/C16H29FO10P2/c1-12(2)6-5-7-13(3)8-10-25-28(21,22)27-29(23,24)26-11-9-16(4,20)14(17)15(18)19/h6,8,14,20H,5,7,9-11H2,1-4H3,(H,18,19)(H,21,22)(H,23,24)/b13-8+

关联靶标

Diphosphomevalonate decarboxylase

P'-geranyl 3,5,8-trihydroxy-3-methyloctanate 8-diphosphate

技术标识符

IUPAC名称

8-[[[(2E)-3,7-dimethylocta-2,6-dienoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,5-dihydroxy-3-methyloctanoic acid

SMILES

OC(CC(CC(=O)O)(O)C)CCCOP(=O)(OP(=O)(OC/C=C(/CCC=C(C)C)\C)O)O

InChIKey

FPMYZHYONYFBNX-MHWRWJLKSA-N

InChI

1S/C19H36O11P2/c1-15(2)7-5-8-16(3)10-12-29-32(26,27)30-31(24,25)28-11-6-9-17(20)13-19(4,23)14-18(21)22/h7,10,17,20,23H,5-6,8-9,11-14H2,1-4H3,(H,21,22)(H,24,25)(H,26,27)/b16-10+

关联靶标

Diphosphomevalonate decarboxylase

K-80003

技术标识符

IUPAC名称

2-[(3Z)-6-fluoro-2-methyl-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]acetic acid

SMILES

OC(=O)CC1=C(C)/C(=C/c2ccc(cc2)C(C)C)/c2c1cc(F)cc2

InChIKey

QCXBVGNDRYQVJO-GRSHGNNSSA-N

InChI

1S/C22H21FO2/c1-13(2)16-6-4-15(5-7-16)10-19-14(3)20(12-22(24)25)21-11-17(23)8-9-18(19)21/h4-11,13H,12H2,1-3H3,(H,24,25)/b19-10-

关联靶标

Retinoic acid receptor RXR-alpha

BMS-189532

技术标识符

IUPAC名称

4-[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalene-2-carbonyl]amino]benzoic acid

SMILES

Cc1ccc(cc1)C1=CCC(C)(C)c2c1cc(cc2)C(=O)Nc1ccc(cc1)C(=O)O

InChIKey

WSQCBOJFDSJLNS-UHFFFAOYSA-N

InChI

1S/C27H25NO3/c1-17-4-6-18(7-5-17)22-14-15-27(2,3)24-13-10-20(16-23(22)24)25(29)28-21-11-8-19(9-12-21)26(30)31/h4-14,16H,15H2,1-3H3,(H,28,29)(H,30,31)

关联靶标

Retinoic acid receptor alpha

2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(3-carbamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid

技术标识符

IUPAC名称

2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(3-carbamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid

SMILES

OC(=O)CC(C1=C/C(=c/2\[nH]c3c([nH]2)ccc(c3)C(=N)N)/C(=O)C(=C1)c1cccc(c1)C(=O)N)C(=O)O

InChIKey

WFPGMUDIBWJJND-JJIBRWJFSA-N

InChI

1S/C25H21N5O6/c26-22(27)12-4-5-18-19(9-12)30-24(29-18)17-8-14(16(25(35)36)10-20(31)32)7-15(21(17)33)11-2-1-3-13(6-11)23(28)34/h1-9,16,29-30H,10H2,(H3,26,27)(H2,28,34)(H,31,32)(H,35,36)/b24-17+

关联靶标

Coagulation factor VII, Plasma kallikrein

1-[(2R,5S,11S,14R,15R)-5-hydroxy-2,6,6,15-tetramethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-11-yl]ethan-1-one

技术标识符

IUPAC名称

1-[(2R,5S,11S,14R,15R)-5-hydroxy-2,6,6,15-tetramethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-11-yl]ethan-1-one

SMILES

CC(CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1C2=CCC2[C@]1(C)CC[C@@H](C2(C)C)O)C(=O)C)C)C

InChIKey

DZMAIPFWPZZKSY-MBDGPJGJSA-N

InChI

1S/C31H52O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-21,23-24,26-27,33H,9-11,13-19H2,1-8H3/t21-,23-,24?,26?,27+,29-,30-,31-/m1/s1

关联靶标

3-hydroxy-3-methylglutaryl-coenzyme A reductase

(5E,9E)-6,10,14-trimethyl-1-phosphonatopentadeca-5,9,13-triene-1-sulfonate

技术标识符

IUPAC名称

(5E,9E)-6,10,14-trimethyl-1-phosphonatopentadeca-5,9,13-triene-1-sulfonate

SMILES

C/C(=C\CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-])/CC/C=C(/CCC=C(C)C)\C

InChIKey

GAGCDEGBGYUQJJ-QKXOVSGLSA-K

InChI

1S/C18H33O6PS/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(25(19,20)21)26(22,23)24/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H2,19,20,21)(H,22,23,24)/p-3/b16-10+,17-13+

关联靶标

Squalene synthase

(2E, 6E)-farnesylbisphosphonate

技术标识符

IUPAC名称

[(3E,7E)-4,8,12-trimethyl-1-phosphonotrideca-3,7,11-trien-1-yl]phosphonic acid

SMILES

C/C(=C\CC/C(=C/CC(P(=O)(O)O)P(=O)(O)O)/C)/CCC=C(C)C

InChIKey

QBAOBDKNTDWTHR-YFVJMOTDSA-N

InChI

1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9+,15-11+

关联靶标

Geranylgeranyl pyrophosphate synthase