VM 54159
AlkaPlorer ID: AK059670
Synonym: 'Paraherquamide E', '14-Deoxyparaherquamide'
IUPAC Name: (1'S,6'S,7'S,8R,9'S)-4,4,6',10',10',14'-hexamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,14-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,13'-dione
Structure
SMILES: C[C@H]1CCN2C[C@]34C[C@@]5(C(O)=NC6=C7OC=CC(C)(C)OC7=CC=C65)C(C)(C)[C@@H]3C[C@]12N(C)C4=O
InChI: InChI=1S/C28H35N3O4/c1-16-9-11-31-15-26-14-27(25(4,5)19(26)13-28(16,31)30(6)23(26)33)17-7-8-18-21(20(17)29-22(27)32)34-12-10-24(2,3)35-18/h7-8,10,12,16,19H,9,11,13-15H2,1-6H3,(H,29,32)/t16-,19-,26+,27+,28+/m0/s1
InChIKey: REQIHHINNNXGQV-PYGUQFFJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium dierckxii | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 477.6050000000003
TPSA？: 74.60000000000001
MolLogP？: 4.5358000000000045
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|