Dasymachaline
AlkaPlorer ID: AK006345
Synonym: '', 'Duguetine'
IUPAC Name: (12S,13S)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
Structure
SMILES: COC1=C(OC)C=C2C(=C1)C1=C3OCOC3=CC3=C1[C@@H]([C@H]2O)N(C)CC3
InChI: InChI=1S/C20H21NO5/c1-21-5-4-10-6-15-20(26-9-25-15)17-11-7-13(23-2)14(24-3)8-12(11)19(22)18(21)16(10)17/h6-8,18-19,22H,4-5,9H2,1-3H3/t18-,19-/m0/s1
InChIKey: ZAVWGRCRKSHIMO-OALUTQOASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Duguetia surinamensis | Duguetia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 355.39000000000004
TPSA？: 60.39000000000001
MolLogP？: 2.6755000000000004
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b00287 |
| Homo sapiens | HCT-8 | IC50 | 1400.0 | nM | 10.1021/acs.jnatprod.9b00287 |
| Homo sapiens | HepG2 | IC50 | 5000.0 | nM | 10.1021/acs.jnatprod.9b00287 |
| Homo sapiens | HL-60 | IC50 | 4800.0 | nM | 10.1021/acs.jnatprod.9b00287 |
| Homo sapiens | MCF7 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b00287 |
| Homo sapiens | MDA-MB-435 | IC50 | 12400.0 | nM | 10.1021/acs.jnatprod.9b00287 |
| Homo sapiens | MRC5 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b00287 |
| Homo sapiens | SF-295 | IC50 | 1400.0 | nM | 10.1021/acs.jnatprod.9b00287 |