Rogersonin B
AlkaPlorer ID: AK323238
Synonym: None
IUPAC Name: [(2S)-4-[(2R)-5-oxo-2H-furan-2-yl]butan-2-yl] (2S,5S)-5-hydroxy-2-[(2R)-2-(1H-indol-3-ylmethyl)-4-methyl-3-oxido-5-oxo-1H-imidazol-3-ium-2-yl]-4-oxohexanoate
Structure
SMILES: CC1=[N+]([O-])[C@](CC2=CNC3=CC=CC=C23)([C@H](CC(=O)[C@H](C)O)C(=O)O[C@@H](C)CC[C@@H]2C=CC(=O)O2)NC1=O
InChI: InChI=1S/C27H31N3O8/c1-15(8-9-19-10-11-24(33)38-19)37-26(35)21(12-23(32)17(3)31)27(29-25(34)16(2)30(27)36)13-18-14-28-22-7-5-4-6-20(18)22/h4-7,10-11,14-15,17,19,21,28,31H,8-9,12-13H2,1-3H3,(H,29,34)/t15-,17-,19+,21+,27+/m0/s1
InChIKey: IIOFBULFXIUULR-PMUOCRIXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clonostachys rogersoniana | Clonostachys | Bionectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| None | Clonostachys | Bionectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| None | Clonostachys | Bionectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 525.5580000000003
TPSA？: 160.86
MolLogP？: 1.6573999999999998
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | None | None | 10.1021/acs.jnatprod.8b00851 |
| Homo sapiens | ACHN | Activity | None | None | 10.1021/acs.jnatprod.8b00851 |
| Homo sapiens | HeLa | Activity | None | None | 10.1021/acs.jnatprod.8b00851 |
| Homo sapiens | HepG2 | Activity | None | None | 10.1021/acs.jnatprod.8b00851 |
| Homo sapiens | HOS | Activity | None | None | 10.1021/acs.jnatprod.8b00851 |
| Homo sapiens | SH-SY5Y | Activity | None | None | 10.1021/acs.jnatprod.8b00851 |
| Homo sapiens | T-24 | Activity | None | None | 10.1021/acs.jnatprod.8b00851 |