Aurantiomide C
AlkaPlorer ID: AK013063
Synonym: None
IUPAC Name: 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanamide
Structure
SMILES: CC(C)/C=C1\N=C(O)[C@H](CCC(=N)O)N2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C18H20N4O3/c1-10(2)9-13-16-20-12-6-4-3-5-11(12)18(25)22(16)14(17(24)21-13)7-8-15(19)23/h3-6,9-10,14H,7-8H2,1-2H3,(H2,19,23)(H,21,24)/b13-9-/t14-/m0/s1
InChIKey: UKYRPVOCKVERNT-XXYUJHKVSA-N
Reference
PubChem CID: 16680722
LOTUS: LTS0268949
SuperNatural Ⅲ: SN0373221-02
NPASS: NPC84317
{NPAtlas: NPA000342
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: 340.38300000000004
TPSA？: 111.56
MolLogP？: 3.2200700000000007
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | P388 | IC50 | 48.0 | ug.mL-1 | 10.1021/np060516h |
| None | ADMET | IC50 | 48.0 | ug.mL-1 | 10.1021/np060516h |