Cyl-1
AlkaPlorer ID: AK293941
Synonym: None
IUPAC Name: 3-butan-2-yl-6-[(4-methoxyphenyl)methyl]-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Structure
SMILES: CCC(C)C1N=C(O)C(CC2=CC=C(OC)C=C2)N=C(O)C(CCCCCC(=O)C2CO2)N=C(O)C2CCCN2C1=O
InChI: InChI=1S/C31H44N4O7/c1-4-19(2)27-31(40)35-16-8-10-24(35)30(39)32-22(9-6-5-7-11-25(36)26-18-42-26)28(37)33-23(29(38)34-27)17-20-12-14-21(41-3)15-13-20/h12-15,19,22-24,26-27H,4-11,16-18H2,1-3H3,(H,32,39)(H,33,37)(H,34,38)
InChIKey: HHNFORCFJOVQNF-UHFFFAOYSA-N
Reference
Trianellinone, a novel natural triquinone
PubChem CID: 185059
CAS: 90965-62-1
COCONUT: CNP0333832.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cylindrocladium | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 584.7140000000002
TPSA？: 156.91000000000005
MolLogP？: 4.182100000000004
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|