2,3-Dihydro-1-benzoxepin derivative 3
AlkaPlorer ID: AK318718
Synonym: None
IUPAC Name: (3E)-3-(chloromethylidene)-1-benzoxepine-7-carboxamide
Structure
SMILES: NC(=O)C1=CC=C2OC/C(=C/Cl)C=CC2=C1
InChI: InChI=1S/C12H10ClNO2/c13-6-8-1-2-9-5-10(12(14)15)3-4-11(9)16-7-8/h1-6H,7H2,(H2,14,15)/b8-6+
InChIKey: HBLXRWOEWPJYPL-SOFGYWHQSA-N
Reference
Bioactive Metabolites from Cultures of Basidiomycete <i>Favolaschia tonkinensis</i>
PubChem CID: 46210597
LOTUS: LTS0138519
SuperNatural Ⅲ: SN0121053-01
NPASS: NPC160747
{NPAtlas: NPA016735
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Favolaschia tonkinensis | Favolaschia | Mycenaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 235.67
TPSA？: 52.32000000000001
MolLogP？: 2.3138000000000005
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | IC50 | 50.0 | ug.mL-1 | 10.1021/np900777r |
| Chlorocebus sabaeus | Vero | IC50 | 50.0 | ug.mL-1 | 10.1021/np900777r |
| Homo sapiens | KB | IC50 | 12.15 | ug.mL-1 | 10.1021/np900777r |
| Homo sapiens | MCF7 | IC50 | 50.0 | ug.mL-1 | 10.1021/np900777r |
| Homo sapiens | NCI-H187 | IC50 | 50.0 | ug.mL-1 | 10.1021/np900777r |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 10.0 | ug.mL-1 | 10.1021/np900777r |