Epurpurin A
AlkaPlorer ID: AK057869
Synonym: 'Epurpurin A', ''
IUPAC Name: 2,3-bis[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methylidene]butanedinitrile
Structure
SMILES: CC(C)=CCC1=CC(C=C(C#N)C(C#N)=CC2=CC=C(O)C(CC=C(C)C)=C2)=CC=C1O
InChI: InChI=1S/C28H28N2O2/c1-19(2)5-9-23-13-21(7-11-27(23)31)15-25(17-29)26(18-30)16-22-8-12-28(32)24(14-22)10-6-20(3)4/h5-8,11-16,31-32H,9-10H2,1-4H3
InChIKey: HLKVIBAPKJHKOQ-UHFFFAOYSA-N
Reference
Isolation and Structures of Dicyanide Derivatives, Epurpurins A to C, from Emericella purpurea.
PubChem CID: 85259984
CAS: 185954-06-7
LOTUS: LTS0123533
COCONUT: CNP0107746
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus purpureus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 424.5440000000002
TPSA？: 88.04
MolLogP？: 6.629360000000007
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|