3,4-Methylenedioxybenzoic acid; 2-Phenylethylamide
AlkaPlorer ID: AK003011
Synonym: 3,4-Methylenedioxy-N-phenethylbenzamide, Nantoamide
IUPAC Name: N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide
Structure
SMILES: OC(=NCCC1=CC=CC=C1)C1=CC=C2OCOC2=C1
InChI: InChI=1S/C16H15NO3/c18-16(17-9-8-12-4-2-1-3-5-12)13-6-7-14-15(10-13)20-11-19-14/h1-7,10H,8-9,11H2,(H,17,18)
InChIKey: KBJGLIJMWJNSKP-UHFFFAOYSA-N
Reference
Cytotoxic and Anti-HIV Principles from the Rhizomes of Begonia nantoensis
PubChem CID: 669595
CAS: 349114-09-6
LOTUS: LTS0183198
SuperNatural Ⅲ: SN0180974
NPASS: NPC254610
COCONUT: CNP0257812
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Begonia nantoensis | Begonia | Begoniaceae | Cucurbitales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 269.3
TPSA？: 51.05000000000001
MolLogP？: 2.962600000000002
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Ataxin-2 | Potency | 562.3 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 290.8 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 1000.0 | nM | None |
| Homo sapiens | Breast cancer type 1 susceptibility protein | Potency | 6309.6 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 100000.0 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 1122.0 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 10000.0 | nM | None |
| Homo sapiens | HEK293 | Potency | 1122.0 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 2511.9 | nM | None |
| Homo sapiens | Niemann-Pick C1 protein | Potency | 89.1 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 1458.1 | nM | None |
| Homo sapiens | Rap guanine nucleotide exchange factor 3 | Potency | 44668.4 | nM | None |
| Homo sapiens | Ras-related protein Rab-9A | Potency | 89.1 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 2818.4 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 5011.9 | nM | None |
| Photinus pyralis | Luciferin 4-monooxygenase | Potency | 535.8 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 207.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 13115.4 | nM | None |
| None | Unchecked | AC50 | 2310.0 | nM | None |
| None | Unchecked | AC50 | 2880.0 | nM | None |
| None | Unchecked | Potency | 1258.9 | nM | None |
| None | Unchecked | Potency | 5011.9 | nM | None |
| None | Unchecked | Potency | 7943.3 | nM | None |