Brevicompanine D
AlkaPlorer ID: AK074744
Synonym: None
IUPAC Name: (1S,4S,7S,9R)-16-(methoxymethyl)-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-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(COC)C1=CC=CC=C12
InChI: InChI=1S/C24H33N3O3/c1-7-23(4,5)24-13-19-20(28)25-17(12-15(2)3)21(29)27(19)22(24)26(14-30-6)18-11-9-8-10-16(18)24/h7-11,15,17,19,22H,1,12-14H2,2-6H3,(H,25,28)/t17-,19-,22-,24+/m0/s1
InChIKey: XKVYLKJFRXEXTN-UNBWHIKDSA-N
Reference
Diketopiperazine Alkaloids from a Deep Ocean Sediment Derived Fungus Penicillium sp.
PubChem CID: 44203521
LOTUS: LTS0092437
SuperNatural Ⅲ: SN0432935-01
{NPAtlas: NPA011687
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 411.54600000000016
TPSA？: 65.37
MolLogP？: 3.872300000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|