Molecule

(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Chemical Information

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol68218
Source
Alternate Name
  • Ergocornine
  • 564-36-3
  • Ergocornin
  • EINECS 209-272-7
  • NSC 407316
  • BRN 0078784
  • CHEBI:4820
  • UNII-7W36B25464
  • ERGOCORNINE [MI]
  • 7W36B25464
  • 12'-Hydroxy-2',5'-alpha-bis(1-methylethyl)ergotaman-3',6',18-trione
  • 4-25-00-00963 (Beilstein Handbook Reference)
  • NSC-407316
  • 12'-hydroxy-2',5'alpha-bis(1-methylethyl)ergotaman-3',6',18-trione
  • 12'-hydroxy-3',6',18-trioxo-2',5'alpha-di(propan-2-yl)ergotaman
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'-alpha)-
  • Ergocorninin
  • Ergocorine phosphate
  • (5'alpha)-12'-Hydroxy-2',5'-bis(1-methylethyl)ergotaman-3',6',18-trione
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'alpha)-
  • (6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
  • Ergocornine, (5'alpha,8alpha)-isomer
  • (6aR,9R)-N-((1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo(7.3.0.02,6)dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide
  • N-(2-hydroxy-5,8-dioxo-4,7-bis(propan-2-yl)-3-oxa-6,9-diazatricyclo(7.3.0.02,6)dodecan-4-yl)-6-methyl-6,11-diazatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
  • N-[2-hydroxy-5,8-dioxo-4,7-bis(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
  • 12'-Hydroxy-2',5'-.alpha.-bis(1-methylethyl)ergotaman-3',6',18-trione
  • (5'.alpha.)-12'-Hydroxy-2',5'-bis(1-methylethyl)ergotaman-3',6',18-trione
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'.alpha.)-
  • Ergocornine phosphate, (5'alpha)-isomer
  • 74137-65-8
  • Ergocornine methyl sulfate, (5'alpha)-isomer
  • Ergocornine methanesulfonate, (5'alpha)-isomer
  • Ergocornine 2-maleate (1:1), (5'alpha)-isomer
  • Ergocornine 2-maleate (2:1), (5'alpha)-isomer
  • Ergocornine monomethanesulfonate, (5'alpha)-isomer
  • Ergocornine monomethanesulfonate, (5'alpha,8alpha)-isomer
  • 12'-Hydroxy-2',5'a-bis(1-methylethyl)ergotaman-3',6',18-trione
  • 12'-Hydroxy-2',5'I+--bis(1-methylethyl)ergotaman-3',6',18-trione
  • 18702-76-6
  • 209-272-7
  • 34641-17-3
  • ergocorine mesylate
  • ujygdmfeednvbf-uhfffaoysa-n
  • MLS000069342
  • SMR000058938
  • regid856021
  • Opera_ID_1715
  • Biomol-NT_000006
  • Ergocornine, >95%, solid
  • SCHEMBL78984
  • cid_73453
  • MLS001076288
  • BPBio1_001133
  • CHEMBL1385840
  • BDBM30709
  • DTXSID40971841
  • HMS2232G14
  • HY-N7767
  • MSK40245
  • FE30655
  • 1ST40245
  • C09162
  • Q5385809
  • BRD-K19360254-001-01-3
  • 12'-Hydroxy-2',5'-a-bis(1-methyl-ethyl)ergotaman-3',6',18-trione
  • 12'-Hydroxy-2',5'a-bis(1-methylethyl)-8a-ergotaman-3',6',18-trione
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
CHEBI:4820 chebi
CHEMBL1385840 chembl
29373362 surechembl
78984 surechembl
73453 pubchem
7W36B25464 fdasrs
30709 bindingdb
The data in this table is sourced from UniChem at EBI.