Cinereain
AlkaPlorer ID: AK292488
Synonym: 10,11-Dihydro-8-(1-methylethyl)-11-(2-methylpropylidene)-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione
IUPAC Name: 4-(2-methylpropylidene)-7-propan-2-yl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
Structure
SMILES: CC(C)C=C1NC(=O)C(C(C)C)N2C1=NC1=C(C=CC=CO1)C2=O
InChI: InChI=1S/C18H21N3O3/c1-10(2)9-13-15-20-17-12(7-5-6-8-24-17)18(23)21(15)14(11(3)4)16(22)19-13/h5-11,14H,1-4H3,(H,19,22)
InChIKey: CCHUDPANZXHQCS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus carneus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Botrytis cinerea | Botrytis | Sclerotiniaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 327.38400000000007
TPSA？: 73.22
MolLogP？: 2.4864000000000006
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|