Tan Lab | DSigDB

Gene Set: D4 : CTD - RES 701-1

Collection

D4 : CTD

Chemical Name

RES 701-1 ( From PubChem : RES-701-1 )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Not	Not	Not	Not	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
2043.16 g/mol	25	42	4.377	False(1/4)

Structure

InChI

InChI=1S/C103H115N23O23/c1-54-102(147)126-35-15-26-83(126)100(145)123-81(46-85(131)110-51-87(133)114-72(90(105)135)45-86(132)115-77(40-60-47-107-69-23-12-9-20-66(60)69)96(141)121-79(43-63-50-106-53-112-63)91(136)111-52-88(134)125-89(55(2)127)101(146)113-54)99(144)120-78(41-61-48-108-70-24-13-10-21-67(61)70)97(142)118-73(36-56-16-5-3-6-17-56)92(137)116-74(37-57-18-7-4-8-19-57)94(139)122-80(44-84(104)130)98(143)119-75(38-58-27-31-64(128)32-28-58)93(138)117-76(39-59-29-33-65(129)34-30-59)95(140)124-82(103(148)149)42-62-49-109-71-25-14-11-22-68(62)71/h3-14,16-25,27-34,47-50,53-55,72-83,89,107-109,127-129H,15,26,35-46,51-52H2,1-2H3,(H2,104,130)(H2,105,135)(H,106,112)(H,110,131)(H,111,136)(H,113,146)(H,114,133)(H,115,132)(H,116,137)(H,117,138)(H,118,142)(H,119,143)(H,120,144)(H,121,141)(H,122,139)(H,123,145)(H,124,140)(H,125,134)(H,148,149)/t54-,55+,72?,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83?,89?/m0/s1

InChIKey

GKJHBAGJUMHZCI-CLABBSOHSA-N

Links

Gene (2 / 8)

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Source	Type	Gene	Other
CTD	affects(cotreatment)	ADIPOQ	C087120
CTD	affects(reaction)	ADIPOQ	C087120
CTD	decreases(reaction)	ADIPOQ	C087120
CTD	increases(expression)	ADIPOQ	C087120
CTD	affects(cotreatment)	INS	C087120
CTD	affects(reaction)	INS	C087120
CTD	decreases(reaction)	INS	C087120
CTD	increases(expression)	INS	C087120

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