Puniceloid A
AlkaPlorer ID: AK120072
Synonym: None
IUPAC Name: (1S,4R)-1-benzyl-10-hydroxy-1-methoxy-4-methyl-2,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
Structure
SMILES: CO[C@]1(CC2=CC=CC=C2)N=C(O)[C@@H](C)N2C1=NC1=C(O)C=CC=C1C2=O
InChI: InChI=1S/C20H19N3O4/c1-12-17(25)22-20(27-2,11-13-7-4-3-5-8-13)19-21-16-14(18(26)23(12)19)9-6-10-15(16)24/h3-10,12,24H,11H2,1-2H3,(H,22,25)/t12-,20+/m1/s1
InChIKey: BFZLJEPIUQRETA-ODXCJYRJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus puniceus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 365.3890000000001
TPSA？: 96.94
MolLogP？: 2.6751000000000005
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4