Dubinidine
AlkaPlorer ID: AK004871
Synonym: 'SMR000137322', '', 'MLS001164025', '2-(4-methoxy-2,3-dihydrofuro2,3-bquinolin-2-yl)-1,2-propanediol', 'Dubinidine', 'MLS000532363'
IUPAC Name: (2S)-2-[(2R)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol
Structure
SMILES: COC1=C2C[C@H]([C@@](C)(O)CO)OC2=NC2=CC=CC=C12
InChI: InChI=1S/C15H17NO4/c1-15(18,8-17)12-7-10-13(19-2)9-5-3-4-6-11(9)16-14(10)20-12/h3-6,12,17-18H,7-8H2,1-2H3/t12-,15+/m1/s1
InChIKey: NETGEQWGGLFVRL-DOMZBBRYSA-N
Reference
Folipidine, a New Type Quinoline Alkaloid from Plants of the Haplophyllum Genus
PubChem CID: 673467
LOTUS: LTS0235114
SuperNatural Ⅲ: SN0243484-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 275.304
TPSA？: 71.81
MolLogP？: 1.2902
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 15848.93 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | Potency | 1258.9 | nM | None |
| Homo sapiens | Signal transducer and activator of transcription 6 | Potency | 12589.3 | nM | None |
| Homo sapiens | Thrombopoietin | Potency | 3162.3 | nM | None |
| Homo sapiens | Thyroid stimulating hormone receptor | Potency | 6309.6 | nM | None |
| None | Unchecked | Potency | 39.8 | nM | None |