10,20-Dehydro[12,13-dehydroprolyl]-2-(1',1'-dimethylallyltryptophyl)diketopiperazine
AlkaPlorer ID: AK048066
Synonym: ''
IUPAC Name: (1S,13Z)-12,12-dimethyl-10,15,21-triazapentacyclo[13.7.0.03,11.04,9.017,21]docosa-3(11),4,6,8,13,17-hexaene-16,22-dione
Structure
SMILES: CC1(C)/C=C\N2C(=O)C3=CCCN3C(=O)[C@@H]2CC2=C1NC1=CC=CC=C21
InChI: InChI=1S/C21H21N3O2/c1-21(2)9-11-24-17(20(26)23-10-5-8-16(23)19(24)25)12-14-13-6-3-4-7-15(13)22-18(14)21/h3-4,6-9,11,17,22H,5,10,12H2,1-2H3/b11-9-/t17-/m0/s1
InChIKey: VSXXSJJFEXRTPT-CCCPALQASA-N
Reference
The structures of five diketopiperazines from Aspergillus ustus
PubChem CID: 11473485
LOTUS: LTS0148827
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ustus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 347.418
TPSA？: 56.41
MolLogP？: 2.8423000000000007
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | N2a | Activity | 51.8 | % | 10.1016/j.bmc.2021.116560 |