Allicin
Allicin (Diallyl Thiosulfinate), the main biologically active component of the freshly crushed garlic extracts, possesses various biological activities including antibacterial, antifungal and antiparasitic effects., Allicin (Diallyl Thiosulfinate), the main biologically active component of the freshly crushed garlic extracts, possesses various biological activities including antibacterial, antifungal and antiparasitic effects.
| Trivial name | diallyl thiosulfinate |
| Catalog Number | S3860 |
| Molecular Formula | C203H331N63O53S |
| CAS# | 539-86-6 |
| Inchi | InChI=1S/C203H331N63O53S/c1-18-109(12)162(261-156(279)99-230-171(291)147(95-157(280)281)255-193(313)149(100-267)258-169(289)124(211)93-119-97-224-103-231-119)198(318)256-145(89-114-40-20-19-21-41-114) 191(311)265-163(113(16)270)199(319)257-148(96-158(282)283)189(309)260-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)187(307)259-150(101-268)192(312)243-133(51-38-83-227-202(219)220)179(29 9)252-143(91-117-57-65-122(273)66-58-117)186(306)242-132(50-37-82-226-201(217)218)176(296)238-127(44-24-31-76-206)174(294)244-136(70-72-153(213)276)181(301)246-137(73-85-320-17)172(292)233-112(15)168( 288)262-160(107(8)9)196(316)247-129(46-26-33-78-208)173(293)236-125(42-22-29-74-204)164(284)165(285)139(88-115-53-61-120(271)62-54-115)249-184(304)141(87-105(4)5)250-167(287)111(14)232-166(286)110(13) 234-195(315)159(106(6)7)264-190(310)140(86-104(2)3)235-155(278)98-229-170(290)126(43-23-30-75-205)237-175(295)131(49-36-81-225-200(215)216)241-185(305)142(90-116-55-63-121(272)64-56-116)251-178(298)12 8(45-25-32-77-207)239-180(300)135(69-71-152(212)275)245-177(297)134(52-39-84-228-203(221)222)248-197(317)161(108(10)11)263-182(302)130(47-27-34-79-209)240-188(308)146(94-154(214)277)254-183(303)138(26 6-223)48-28-35-80-210/h19-21,40-41,53-68,97,103-113,124-151,159-163,266-274H,18,22-39,42-52,69-96,98-102,204-211,223H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H,224,231)(H,229,290)(H,230,291)(H,23 2,286)(H,233,292)(H,234,315)(H,235,278)(H,236,293)(H,237,295)(H,238,296)(H,239,300)(H,240,308)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,297)(H,246,301)(H,247,316)(H,248,317)(H,249,304)(H,250, 287)(H,251,298)(H,252,299)(H,253,314)(H,254,303)(H,255,313)(H,256,318)(H,257,319)(H,258,289)(H,259,307)(H,260,309)(H,261,279)(H,262,288)(H,263,302)(H,264,310)(H,265,311)(H,280,281)(H,282,283)(H4,215,2 16,225)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)/t109-,110-,111-,112-,113+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147 +,148+,149+,150+,151+,159+,160+,161+,162+,163+/m1/s1 |
| Inchi Key | VTYQQJBYUGSTAS-WCHRVCECSA-N |
| SMILES | CCC(C)C(NC(=O)CNC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)CC1=CN=C[NH]1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CO)C(=O)NC(CC3=CC=C(O)C=C3)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC4=CC=C(O)C=C4)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)C(=O)C(CC5=CC=C(O)C=C5)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC6=CC=C(O)C=C6)NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NN)C(C)C)C(C)C |
| Size | 25mg |
| Supplier Page | http://www.selleckchem.com/products/allicin.html |
| Additional Information | https://file.selleck.cn/downloads/struct/allicin-chemical-structure-s3860.gif |