Brevicompanine E
AlkaPlorer ID: AK019019
Synonym: None
IUPAC Name: (1R,4S,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Structure
SMILES: C=CC(C)(C)[C@@]12C[C@H]3C(O)=N[C@@H](CC(C)C)C(=O)N3[C@@H]1N(C(=O)CC)C1=CC=CC=C12
InChI: InChI=1S/C25H33N3O3/c1-7-20(29)27-18-12-10-9-11-16(18)25(24(5,6)8-2)14-19-21(30)26-17(13-15(3)4)22(31)28(19)23(25)27/h8-12,15,17,19,23H,2,7,13-14H2,1,3-6H3,(H,26,30)/t17-,19-,23-,25+/m0/s1
InChIKey: FKIMAYNINSCCGK-CKRMUJODSA-N
Reference
Diketopiperazine Alkaloids from a Deep Ocean Sediment Derived Fungus Penicillium sp.
PubChem CID: 44203522
LOTUS: LTS0105319
SuperNatural Ⅲ: SN0088044-01
{NPAtlas: NPA000581
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 423.5570000000002
TPSA？: 73.21000000000001
MolLogP？: 4.205000000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|