Roquefortine H
AlkaPlorer ID: AK064097
Synonym: None
IUPAC Name: (1S,4E,9R)-9-(2-methylbut-3-en-2-yl)-4-[[1-(2-methyl-4-oxopentan-2-yl)imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Structure
SMILES: C=CC(C)(C)[C@@]12CC3C(O)=N/C(=C/C4=CN(C(C)(C)CC(C)=O)C=N4)C(=O)N3[C@@H]1NC1=CC=CC=C12
InChI: InChI=1S/C28H33N5O3/c1-7-26(3,4)28-14-22-23(35)30-21(12-18-15-32(16-29-18)27(5,6)13-17(2)34)24(36)33(22)25(28)31-20-11-9-8-10-19(20)28/h7-12,15-16,22,25,31H,1,13-14H2,2-6H3,(H,30,35)/b21-12+/t22?,25-,28+/m0/s1
InChIKey: IOMOQUZQAXSJJI-NPCLQBQOSA-N
Reference
Alkaloids from a deep ocean sediment-derived fungus Penicillium sp. and their antitumor activities
PubChem CID: 46894051
LOTUS: LTS0261289
{NPAtlas: NPA004799
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sp. F23-2 | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 487.6040000000002
TPSA？: 99.82
MolLogP？: 4.411000000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|