4-Methoxydianthramide B
AlkaPlorer ID: AK000485
Synonym: ''
IUPAC Name: methyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate
Structure
SMILES: COC(=O)C1=CC=C(OC)C=C1N=C(O)C1=CC=CC=C1O
InChI: InChI=1S/C16H15NO5/c1-21-10-7-8-11(16(20)22-2)13(9-10)17-15(19)12-5-3-4-6-14(12)18/h3-9,18H,1-2H3,(H,17,19)
InChIKey: BTFAZIPNJLVTAL-UHFFFAOYSA-N
Reference
New Cytotoxic Cyclic Peptides and Dianthramide from <i>Dianthus superbus</i>
PubChem CID: 11438059
CAS: 763932-82-7
LOTUS: LTS0199933
SuperNatural Ⅲ: SN0034775
NPASS: NPC9475
COCONUT: CNP0288384
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dianthus superbus | Dianthus | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 301.298
TPSA？: 88.35000000000001
MolLogP？: 2.823700000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 20.0 | ug.mL-1 | 10.1021/np040036v |
| Homo sapiens | HepG2 | IC50 | 4.08 | ug.mL-1 | 10.1021/np040036v |
| Homo sapiens | MCF7 | IC50 | 20.0 | ug.mL-1 | 10.1021/np040036v |
| Homo sapiens | MDA-MB-231 | IC50 | 20.0 | ug.mL-1 | 10.1021/np040036v |
| None | NON-PROTEIN TARGET | IC50 | 16.02 | ug.mL-1 | 10.1021/np040036v |