has functional parent 1,4-benzoquinones ansamycin carbamate ester secondary amino compound tertiary amino compound geldanamycin alvespimycin (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin 17-DMAG 616.347 616.747 A 19-membered macrocyle that is geldanamycin in which the methoxy group attached to the benzoquinone moiety has been replaced by a 2-(N,N-dimethylamino)ethylamino group. C12=C(C(C=C(C1=O)NC(C(=CC=C[C@@H]([C@H](C(=C[C@@H]([C@H]([C@H](C[C@@H](C2)C)OC)O)C)C)OC(=O)N)OC)C)=O)=O)NCCN(C)C C32H48N4O8 CAS:467214-20-6 CHEBI:65324 DrugBank:DB03080 InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1 KUFRQPKVAWMTJO-LMZWQJSESA-N PDBeChem:KOS PMID:19371599 PMID:21278242 PMID:21663398 PMID:21718076 PMID:22547655 PMID:22694478 PMID:23635099 PMID:23843639 PMID:24293393 PMID:24304935 PMID:24471734 Reaxys:9890433 Wikipedia:17-Dimethylaminoethylamino-17-demethoxygeldanamycin chebi_ontology