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CHEBI:210711 - Diprostatin A

ChEBI IDCHEBI:210711
ChEBI NameDiprostatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC49H58N6O11
Net Charge0
Average Mass907.034
Monoisotopic Mass906.41636
SMILESCOc1ccc2c3c(nc2c1)[C@H](CC(C)(C)O)N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@H]3OCC(C)=CCn1c2c(c3ccc(OC)cc31)[C@H](O)[C@@]1(O)C(=O)N3CCC[C@H]3C(=O)N1[C@H]2C=C(C)C
InChIInChI=1S/C49H58N6O11/c1-25(2)20-35-40-38(41(56)48(62)45(59)52-17-8-10-32(52)43(57)54(35)48)30-15-13-28(65-7)22-34(30)51(40)19-16-26(3)24-66-42-37-29-14-12-27(64-6)21-31(29)50-39(37)36(23-47(4,5)61)55-44(58)33-11-9-18-53(33)46(60)49(42,55)63/h12-16,20-22,32-33,35-36,41-42,50,56,61-63H,8-11,17-19,23-24H2,1-7H3/t32-,33-,35-,36-,41-,42-,48+,49-/m0/s1
InChIKeyWHFFMHBENHLZQG-MKRGJSFXSA-N
ChEBI Ontology
Outgoing Relation(s)
Diprostatin A (CHEBI:210711) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(1R,2S,12S,15S)-1,2-dihydroxy-10-[4-[[(1S,2S,12S,15S)-1-hydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-14,20-dioxo-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraen-2-yl]oxy]-3-methylbut-2-enyl]-7-methoxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
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78439156ChemSpider