Asperthrin E
AlkaPlorer ID: AK000174
Synonym: None
IUPAC Name: [(1'R,3R,7'S,9'R,12'S)-7,7,10',10'-tetramethyl-2,2',14'-trioxospiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-12'-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1[C@]23[C@H](C[C@@]4(CCCN4C2=O)C(=O)N3)C([C@@]15C6=C(C7=C(C=C6)OC(C=C7)(C)C)NC5=O)(C)C
InChI: InChI=1S/C28H31N3O6/c1-14(32)36-20-27(16-7-8-17-15(19(16)29-22(27)34)9-11-24(2,3)37-17)25(4,5)18-13-26-10-6-12-31(26)23(35)28(18,20)30-21(26)33/h7-9,11,18,20H,6,10,12-13H2,1-5H3,(H,29,34)(H,30,33)/t18-,20+,26+,27+,28-/m1/s1
InChIKey: PMWRUYDROIRHHZ-VMQMJDGQSA-N
Reference
PubChem CID: 170990477
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 505.5710000000003
TPSA？: 114.03999999999999
MolLogP？: 2.2819000000000003
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|