Aurantiomide B
AlkaPlorer ID: AK058224
Synonym: None
IUPAC Name: 3-[(1R,4S)-1-hydroxy-1-(2-methylpropyl)-3,6-dioxo-2,4-dihydropyrazino[2,1-b]quinazolin-4-yl]propanamide
Structure
SMILES: CC(C)C[C@]1(O)NC(=O)[C@H](CCC(N)=O)N2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C18H22N4O4/c1-10(2)9-18(26)17-20-12-6-4-3-5-11(12)16(25)22(17)13(15(24)21-18)7-8-14(19)23/h3-6,10,13,26H,7-9H2,1-2H3,(H2,19,23)(H,21,24)/t13-,18+/m0/s1
InChIKey: VZHFOIYILDANRZ-SCLBCKFNSA-N
Reference
PubChem CID: 16680721
LOTUS: LTS0164425
SuperNatural Ⅲ: SN0404140-01
NPASS: NPC154478
{NPAtlas: NPA006775
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: 358.3980000000001
TPSA？: 127.31
MolLogP？: 0.5240999999999999
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | IC50 | 52.0 | ug.mL-1 | 10.1021/np060516h |
| Mus musculus | P388 | IC50 | 54.0 | ug.mL-1 | 10.1021/np060516h |