Circumdatin L
AlkaPlorer ID: AK019152
Synonym: None
IUPAC Name: (10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione
Structure
SMILES: C[C@@H]1N=C(O)C2=CC=CC=C2N2C1=NC1=C(C=CC=CO1)C2=O
InChI: InChI=1S/C17H13N3O3/c1-10-14-19-16-12(7-4-5-9-23-16)17(22)20(14)13-8-3-2-6-11(13)15(21)18-10/h2-10H,1H3,(H,18,21)/t10-/m0/s1
InChIKey: QAMUEVCOVRRFPK-JTQLQIEISA-N
Reference
Alkaloids from the Deep-Sea-Derived Fungus <i>Aspergillus westerdijkiae</i> DFFSCS013
PubChem CID: 71712813
LOTUS: LTS0267893
NPASS: NPC471132
{NPAtlas: NPA000590
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus westerdijkiae | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 307.309
TPSA？: 76.71000000000001
MolLogP？: 2.5310000000000006
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/np400132m |
| Homo sapiens | HL-60 | IC50 | 10000.0 | nM | 10.1021/np400132m |
| Homo sapiens | K562 | IC50 | 10000.0 | nM | 10.1021/np400132m |
| Homo sapiens | MCF7 | IC50 | 10000.0 | nM | 10.1021/np400132m |