Fumitremorgin F
AlkaPlorer ID: AK034418
Synonym: None
IUPAC Name: (2S,3'R,3aR,4S)-2-methyl-3'-(4-oxoquinazolin-3-yl)spiro[3,3a-dihydro-2H-imidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione
Structure
SMILES: C[C@@H]1N[C@@H]2N(C1=O)C1=CC=CC=C1[C@@]21C[C@@H](N2C=NC3=CC=CC=C3C2=O)C(=O)O1
InChI: InChI=1S/C22H18N4O4/c1-12-18(27)26-16-9-5-3-7-14(16)22(21(26)24-12)10-17(20(29)30-22)25-11-23-15-8-4-2-6-13(15)19(25)28/h2-9,11-12,17,21,24H,10H2,1H3/t12-,17+,21+,22-/m0/s1
InChIKey: ZVBIGFFAMBWOSA-RGKJGADRSA-N
Reference
Alkaloids from the Marine Isolate of the Fungus Aspergillus fumigatus
PubChem CID: 181786
CAS: 66212-51-9
LOTUS: LTS0103405
SuperNatural Ⅲ: SN0481040-03
NPASS: NPC285192
{NPAtlas: NPA017493
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Neosartorya | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Neosartorya | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 402.4100000000002
TPSA？: 93.53000000000002
MolLogP？: 1.4443999999999997
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | K562 | IC50 | 41000.0 | nM | 10.1021/np800700e |
| Homo sapiens | KB | Activity | nan | None | 10.1021/np800700e |
| Homo sapiens | MCF7 | Activity | nan | None | 10.1021/np800700e |
| Rattus norvegicus | PC-12 | Activity | nan | None | 10.1021/np800700e |