Sclerotigenin; 15-Hydroxy
AlkaPlorer ID: AK077061
Synonym: Circumdatin K
IUPAC Name: 9-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Structure
SMILES: O=C1C2=C(N=C3CN=C(O)C4=CC=CC=C4N31)C(O)=CC=C2
InChI: InChI=1S/C16H11N3O3/c20-12-7-3-5-10-14(12)18-13-8-17-15(21)9-4-1-2-6-11(9)19(13)16(10)22/h1-7,20H,8H2,(H,17,21)
InChIKey: KYEPZJDETIRBHT-UHFFFAOYSA-N
Reference
Alkaloids from the Deep-Sea-Derived Fungus <i>Aspergillus westerdijkiae</i> DFFSCS013
PubChem CID: 71712668
LOTUS: LTS0070064
NPASS: NPC18890
COCONUT: CNP0197658
{NPAtlas: NPA010200
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus westerdijkiae | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 293.28200000000004
TPSA？: 87.71
MolLogP？: 1.9095
Number of H-Donors: 2
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 |