Brasiliamide E
AlkaPlorer ID: AK051648
Synonym: 'Brasiliamide E'
IUPAC Name: 1-[(2R,5R)-2-benzyl-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethanone
Structure
SMILES: COC1=C2OCOC2=CC(C[C@@H]2CN(C(C)=O)[C@H](CC3=CC=CC=C3)CN2)=C1
InChI: InChI=1S/C22H26N2O4/c1-15(25)24-13-18(23-12-19(24)9-16-6-4-3-5-7-16)8-17-10-20(26-2)22-21(11-17)27-14-28-22/h3-7,10-11,18-19,23H,8-9,12-14H2,1-2H3/t18-,19-/m1/s1
InChIKey: AZQJCMKZNJKNSU-RTBURBONSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium brasilianum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 382.4600000000001
TPSA？: 60.03
MolLogP？: 2.398
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|