Melosmine
AlkaPlorer ID: AK036301
Synonym: None
IUPAC Name: 14,15-dimethoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,16-diol
Structure
SMILES: COC1=C(O)C2=C3C(=NC=CC3=C1OC)C(C)(C)C1=CC(O)=CC=C12
InChI: InChI=1S/C20H19NO4/c1-20(2)13-9-10(22)5-6-11(13)14-15-12(7-8-21-19(15)20)17(24-3)18(25-4)16(14)23/h5-9,22-23H,1-4H3
InChIKey: CUEIWVZJOPCMPT-UHFFFAOYSA-N
Reference
Melosmine and Melosmidine 7,7-Dimethyltetradehydroaporphine Alkaloids From Guatteria melosma
PubChem CID: 72329
CAS: 81525-68-0
LOTUS: LTS0166101
SuperNatural Ⅲ: SN0055701
COCONUT: CNP0242120
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Guatteria megalophylla | Guatteria | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 337.37500000000006
TPSA？: 71.81
MolLogP？: 3.969500000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 reverse transcriptase | IC50 | 200.0 | ug.mL-1 | 10.1021/np50073a012 |
| Rattus norvegicus | Dopamine D1 receptor | IC50 | 12500.0 | nM | 10.1021/jm060959i |
| Rattus norvegicus | Dopamine D2 receptor | IC50 | 80000.0 | nM | 10.1021/jm060959i |
| Rattus norvegicus | Dopamine transporter | IC50 | 23600.0 | nM | 10.1021/np50124a001 |
| Rattus norvegicus | Dopamine transporter | IC50 | 24600.0 | nM | 10.1021/jm060959i |
| None | Unchecked | Ratio IC50 | 0.53 | None | 10.1021/np50124a001 |
| None | Unchecked | Ratio IC50 | 3.44 | None | 10.1021/np50124a001 |