(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-5-oxo-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
AlkaPlorer ID: AK319245
Synonym: None
IUPAC Name: (6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-5-oxo-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
Structure
SMILES: CC(C)[C@H]1CN2CCC[C@H]2[C@]2(O)O[C@](N=C(O)[C@@H]3C=C4C5=C6C(=CNC6=CC=C5)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
InChI: InChI=1S/C31H41N5O4/c1-17(2)25-16-35-11-7-10-26(35)31(39)36(25)29(38)30(40-31,18(3)4)33-28(37)20-12-22-21-8-6-9-23-27(21)19(14-32-23)13-24(22)34(5)15-20/h6,8-9,12,14,17-18,20,24-26,32,39H,7,10-11,13,15-16H2,1-5H3,(H,33,37)/t20-,24-,25-,26+,30-,31+/m1/s1
InChIKey: JQYYNHYNXWPSEG-JTKYEKAPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Claviceps purpurea | Claviceps | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Ipomoea cairica | Ipomoea | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 547.7000000000003
TPSA？: 104.63
MolLogP？: 3.353900000000002
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|