12584-58-6, DTXSID60154957
| Name | Insulin | ||
| PubChem CID | 16131098 | ||
| Molecular Weight | 5778g/mol | ||
| Synonyms |
12584-58-6, DTXSID60154957 |
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| Drug Type | Small molecule | ||
| Formula | C₂₅₆H₃₈₁N₆₅O₇₆S₆ | ||
| SMILES | CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NC(CC(=O)N)C(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)N8CCCC8C(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CN=CN2)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN | ||
| InChI | 1S/C256H381N65O76S6/c1-29-131(23)205(313-193(337)104-258)251(391)317-204(130(21)22)247(387)288-159(75-82-200(347)348)217(357)282-156(71-78-189(262)333)221(361)308-183-116-401-402-117-184-242(382)305-178(111-323)239(379)294-162(88-123(7)8)224(364)295-168(95-140-53-61-146(327)62-54-140)227(367)283-154(69-76-187(260)331)218(358)290-161(87-122(5)6)222(362)285-158(74-81-199(345)346)220(360)302-174(101-190(263)334)234(374)298-170(97-142-57-65-148(329)66-58-142)230(370)309-182(241(381)304-176(255(396)397)103-192(265)336)115-400-399-114-181(213(353)272-107-194(338)278-153(72-79-197(341)342)216(356)281-151(51-42-84-270-256(266)267)211(351)271-108-195(339)279-166(93-138-46-36-32-37-47-138)226(366)297-167(94-139-48-38-33-39-49-139)229(369)299-171(98-143-59-67-149(330)68-60-143)237(377)320-208(136(28)326)253(393)321-85-43-52-186(321)245(385)286-152(50-40-41-83-257)214(354)277-134(26)254(394)395)311-249(389)203(129(19)20)316-235(375)164(90-125(11)12)292-228(368)169(96-141-55-63-147(328)64-56-141)296-223(363)160(86-121(3)4)289-209(349)133(25)276-215(355)157(73-80-198(343)344)287-246(386)202(128(17)18)315-236(376)165(91-126(13)14)293-232(372)173(100-145-106-269-120-275-145)301-238(378)177(110-322)280-196(340)109-273-212(352)180(113-398-403-118-185(310-243(183)383)244(384)319-207(135(27)325)252(392)306-179(112-324)240(380)318-206(132(24)30-2)250(390)312-184)307-225(365)163(89-124(9)10)291-231(371)172(99-144-105-268-119-274-144)300-219(359)155(70-77-188(261)332)284-233(373)175(102-191(264)335)303-248(388)201(127(15)16)314-210(350)150(259)92-137-44-34-31-35-45-137/h31-39,44-49,53-68,105-106,119-136,150-186,201-208,322-330H,29-30,40-43,50-52,69-104,107-118,257-259H2,1-28H3,(H2,260,331)(H2,261,332)(H2,262,333)(H2,263,334)(H2,264,335)(H2,265,336)(H,268,274)(H,269,275)(H,271,351)(H,272,353)(H,273,352)(H,276,355)(H,277,354)(H,278,338)(H,279,339)(H,280,340)(H,281,356)(H,282,357)(H,283,367)(H,284,373)(H,285,362)(H,286,385)(H,287,386)(H,288,387)(H,289,349)(H,290,358)(H,291,371)(H,292,368)(H,293,372)(H,294,379)(H,295,364)(H,296,363)(H,297,366)(H,298,374)(H,299,369)(H,300,359)(H,301,378)(H,302,360)(H,303,388)(H,304,381)(H,305,382)(H,306,392)(H,307,365)(H,308,361)(H,309,370)(H,310,383)(H,311,389)(H,312,390)(H,313,337)(H,314,350)(H,315,376)(H,316,375)(H,317,391)(H,318,380)(H,319,384)(H,320,377)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,394,395)(H,396,397)(H4,266,267,270)/t131-,132-,133-,134-,135+,136+,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,201-,202-,203-,204-,205-,206-,207-,208-/m0/s1 | ||
| InChIKey | NOESYZHRGYRDHS-ZYCCASTOSA-N | ||
| CAS Number | 12584-58-6 | ||
| TTD ID | D05ELO | ||
| Toxicity | Organism | Test Type | Route(Dose) |
| Structure | 
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2D
MOL
3D
MOL
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| Pair Name | Quercitrin, Insulin | |||
| Partner Name | Quercitrin | |||
| Disease Info | [ICD-11: 5A80] | Polycystic ovary syndrome | Investigative | |
| Gene Regulation | Up-regulation | Phosphorylation | AKT1 | hsa207 |
| Up-regulation | Phosphorylation | MTOR | hsa2475 | |
| Up-regulation | Phosphorylation | PIK3CA | hsa5290 | |
| Up-regulation | Expression | PM20D1 | hsa148811 | |
| Up-regulation | Phosphorylation | PRKAA1 | hsa5562 | |
| In Vitro Model | 3T3-L1 | Healthy | Mus musculus (Mouse) | CVCL_0123 |
| In Vivo Model | A total of 48 (specific pathogen-free) SPF female Sprague Dawley rats (aged from six weeks, body weight of 130 –150 g) were uesd in study. | |||
| Result | PM20D1 and PI3K/Akt were required for lipolysis and endocrine regulation in PCOS-IR to restore ovarian function and maintain normal endocrine metabolism. By upregulating the expression of PM20D1, quercitrin activated the PI3K/Akt signaling pathway, improved adipocyte catabolism, corrected reproductive and metabolic abnormalities, and had a therapeutic effect on PCOS-IR. | |||
