Verrucine A
AlkaPlorer ID: AK030426
Synonym: None
IUPAC Name: 3-[(1S,4S)-1-benzyl-3,6-dioxo-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-4-yl]propanamide
Structure
SMILES: N=C(O)CC[C@H]1C(O)=N[C@@H](CC2=CC=CC=C2)C2=NC3=CC=CC=C3C(=O)N21
InChI: InChI=1S/C21H20N4O3/c22-18(26)11-10-17-20(27)24-16(12-13-6-2-1-3-7-13)19-23-15-9-5-4-8-14(15)21(28)25(17)19/h1-9,16-17H,10-12H2,(H2,22,26)(H,24,27)/t16-,17-/m0/s1
InChIKey: LISCNUCDEMJKLE-IRXDYDNUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium aurantiogriseum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 376.4160000000001
TPSA？: 111.56
MolLogP？: 3.5069700000000026
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|