gamma-ergokryptinine
AlkaPlorer ID: AK023301
Synonym: None
IUPAC Name: (6aR)-N-[(1S,2S,4R,7S)-7-butyl-2-hydroxy-5,8-dioxo-4-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
Structure
SMILES: CCCC[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](N=C(O)C3C=C4C5=C6C(=CNC6=CC=C5)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
InChI: InChI=1S/C32H41N5O5/c1-5-6-11-24-29(39)36-13-8-12-26(36)32(41)37(24)30(40)31(42-32,18(2)3)34-28(38)20-14-22-21-9-7-10-23-27(21)19(16-33-23)15-25(22)35(4)17-20/h7,9-10,14,16,18,20,24-26,33,41H,5-6,8,11-13,15,17H2,1-4H3,(H,34,38)/t20?,24-,25+,26-,31+,32-/m0/s1
InChIKey: JOEVHYRUBQUMOP-HPQWYOPTSA-N
Reference
Norleucine, a natural occurrence in a novel ergot alkaloid γ-ergokryptinine
PubChem CID: 139583321
LOTUS: LTS0213115
{NPAtlas: NPA000840
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Claviceps purpurea | Claviceps | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 575.7100000000002
TPSA？: 121.7
MolLogP？: 3.4147000000000025
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|