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
60061167 NMRShiftDB
7W36B25464 FDA SRS
73453 PubChem
15335056 PubChem: Thomson Pharma
LSM-2437 LINCS
SCHEMBL78984 SureChEMBL
ZINC000056871297 ZINC
MTBLC4820 Metabolights
4820 ChEBI
CHEMBL1385840 ChEMBL
C09162 KEGG Ligand
J14.844J Nikkaji
CB0683089 ChemicalBook
30709 BindingDB
The data in this table is sourced from UniChem at EBI.