8α-hydroxy-α-ergokryptine
AlkaPlorer ID: AK047011
Synonym: None
IUPAC Name: (6aR,9S)-9-hydroxy-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Structure
SMILES: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](N=C(O)[C@]3(O)C=C4C5=C6C(=CNC6=CC=C5)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
InChI: InChI=1S/C32H41N5O6/c1-17(2)12-24-27(38)36-11-7-10-25(36)32(42)37(24)29(40)31(43-32,18(3)4)34-28(39)30(41)14-21-20-8-6-9-22-26(20)19(15-33-22)13-23(21)35(5)16-30/h6,8-9,14-15,17-18,23-25,33,41-42H,7,10-13,16H2,1-5H3,(H,34,39)/t23-,24+,25+,30+,31-,32+/m1/s1
InChIKey: OWMJDWNRTCJHGS-NTDBBRRHSA-N
Reference
8α-Hydroxy-α-ergokryptine, an ergot alkaloid
PubChem CID: 102062199
LOTUS: LTS0158108
{NPAtlas: NPA002790
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Claviceps purpurea | Claviceps | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 591.7090000000002
TPSA？: 141.93000000000004
MolLogP？: 2.3855000000000004
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|