Protuboxepin E
AlkaPlorer ID: AK086299
Synonym: None
IUPAC Name: (1S,4R)-4-benzyl-1-butan-2-yl-10-hydroxy-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
Structure
SMILES: CCC(C)[C@@H]1N=C(O)[C@@H](CC2=CC=CC=C2)N2C1=NC1=C(O)C=CC=C1C2=O
InChI: InChI=1S/C22H23N3O3/c1-3-13(2)18-20-23-19-15(10-7-11-17(19)26)22(28)25(20)16(21(27)24-18)12-14-8-5-4-6-9-14/h4-11,13,16,18,26H,3,12H2,1-2H3,(H,24,27)/t13?,16-,18+/m1/s1
InChIKey: IHICXZWKNHGSOP-LLJXTTFASA-N
Reference
Alkaloids with Cardiovascular Effects from the Marine-Derived Fungus Penicillium expansum Y32
PubChem CID: 139586499
LOTUS: LTS0134304
{NPAtlas: NPA012215
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium expansum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 377.4440000000001
TPSA？: 87.71000000000001
MolLogP？: 3.943200000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|