Aurantiomide A
AlkaPlorer ID: AK064723
Synonym: None
IUPAC Name: 3-[(1R,4S)-1-methoxy-1-(2-methylpropyl)-3,6-dioxo-2,4-dihydropyrazino[2,1-b]quinazolin-4-yl]propanamide
Structure
SMILES: CO[C@@]1(CC(C)C)NC(=O)[C@H](CCC(N)=O)N2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C19H24N4O4/c1-11(2)10-19(27-3)18-21-13-7-5-4-6-12(13)17(26)23(18)14(16(25)22-19)8-9-15(20)24/h4-7,11,14H,8-10H2,1-3H3,(H2,20,24)(H,22,25)/t14-,19+/m0/s1
InChIKey: YQGOVBHFRUCFDP-IFXJQAMLSA-N
Reference
PubChem CID: 16681444
LOTUS: LTS0250817
SuperNatural Ⅲ: SN0457401-01
NPASS: NPC81478
{NPAtlas: NPA019847
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Penicillium aurantiogriseum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 372.42500000000007
TPSA？: 116.31
MolLogP？: 1.1782000000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | None | None | 10.1021/np060516h |
| Homo sapiens | HL-60 | Activity | None | None | 10.1021/np060516h |
| Mus musculus | P388 | Activity | None | None | 10.1021/np060516h |
| None | ADMET | Activity | None | None | 10.1021/np060516h |