BU-4704
AlkaPlorer ID: AK328046
Synonym: None
IUPAC Name: [4-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl] hydrogen sulfate
Structure
SMILES: [C-]#[N+]C(=C\C1=CC=C(OC)C=C1)/C(=C/C1=CC=C(OS(=O)(=O)O)C=C1)[N+]#[C-]
InChI: InChI=1S/C19H14N2O5S/c1-20-18(12-14-4-8-16(25-3)9-5-14)19(21-2)13-15-6-10-17(11-7-15)26-27(22,23)24/h4-13H,3H3,(H,22,23,24)/b18-12-,19-13-
InChIKey: AFDVXUYMZKBPPT-BKHHGCLFSA-N
Reference
BU-4704, a new member of the xanthocillin class.
PubChem CID: 9821318
NPASS: NPC317290
{NPAtlas: NPA032787
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 382.3970000000001
TPSA？: 81.55
MolLogP？: 4.097380000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Burkholderia thailandensis | Burkholderia thailandensis | Activity | None | None | 10.1021/np200255f |
| Candida albicans | Candida albicans | Activity | None | None | 10.1021/np200255f |
| Escherichia coli | Escherichia coli | Activity | None | None | 10.1021/np200255f |
| Fusarium incarnatum | Fusarium incarnatum | Activity | None | None | 10.1021/np200255f |
| Homo sapiens | A498 | Activity | None | None | 10.1021/np200255f |
| Homo sapiens | ACHN | Activity | None | None | 10.1021/np200255f |
| Homo sapiens | HOP-92 | Activity | None | None | 10.1021/np200255f |
| Homo sapiens | Malme-3M | Activity | None | None | 10.1021/np200255f |
| Homo sapiens | MOLT-4 | Activity | None | None | 10.1021/np200255f |
| Homo sapiens | NCI-H460 | Activity | None | None | 10.1021/np200255f |
| Homo sapiens | SF-295 | Activity | None | None | 10.1021/np200255f |
| Homo sapiens | SK-MEL-28 | Activity | None | None | 10.1021/np200255f |
| Homo sapiens | SK-MEL-5 | Activity | None | None | 10.1021/np200255f |
| Homo sapiens | SK-OV-3 | Activity | None | None | 10.1021/np200255f |
| Homo sapiens | U-251 | Activity | None | None | 10.1021/np200255f |
| Homo sapiens | UACC-62 | Activity | None | None | 10.1021/np200255f |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/np200255f |