Cordyformamide; 3',3''-Dideoxy, 4'-Me ether
AlkaPlorer ID: AK292988
Synonym: [1-(4-Hydroxyphenyl)-4-(methoxyphenyl)-1,3-butadiene-2,3-diyl]diformamide
IUPAC Name: N-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide
Structure
SMILES: COC1=CC=C(/C=C(N=CO)/C(=C/C2=CC=C(O)C=C2)N=CO)C=C1
InChI: InChI=1S/C19H18N2O4/c1-25-17-8-4-15(5-9-17)11-19(21-13-23)18(20-12-22)10-14-2-6-16(24)7-3-14/h2-13,24H,1H3,(H,20,22)(H,21,23)/b18-10-,19-11-
InChIKey: TYQOIZVNOQGSQC-BJPQZVBLSA-N
Reference
A NEW ANTIBIOTIC, 1-(p-HYDROXYPHENYL)-2, 3-DIISOCYANO-4-(p-METHOXYPHENYL)-BUTA-1, 3-DIENE. II
PubChem CID: 53387667
CAS: 179419-82-0
LOTUS: LTS0113022
NPASS: NPC41801
{NPAtlas: NPA009803
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Streptomyces peucetius | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Hamigera avellanea | Hamigera | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 338.36300000000006
TPSA？: 94.64
MolLogP？: 3.955400000000002
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A498 | IC50 | 1720.0 | nM | 10.1021/np200255f |
| Homo sapiens | ACHN | IC50 | 1370.0 | nM | 10.1021/np200255f |
| Homo sapiens | HOP-92 | IC50 | 2500.0 | nM | 10.1021/np200255f |
| Homo sapiens | Malme-3M | IC50 | 2500.0 | nM | 10.1021/np200255f |
| Homo sapiens | MOLT-4 | IC50 | 1810.0 | nM | 10.1021/np200255f |
| Homo sapiens | NCI-H460 | IC50 | 1840.0 | nM | 10.1021/np200255f |
| Homo sapiens | SF-295 | IC50 | 2500.0 | nM | 10.1021/np200255f |
| Homo sapiens | SK-MEL-28 | IC50 | 2030.0 | nM | 10.1021/np200255f |
| Homo sapiens | SK-MEL-5 | IC50 | 2500.0 | nM | 10.1021/np200255f |
| Homo sapiens | SK-OV-3 | IC50 | 2130.0 | nM | 10.1021/np200255f |
| Homo sapiens | U-251 | IC50 | 2500.0 | nM | 10.1021/np200255f |
| Homo sapiens | UACC-62 | IC50 | 2500.0 | nM | 10.1021/np200255f |