Duguesuramine
AlkaPlorer ID: AK047319
Synonym: None
IUPAC Name: 17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.8.1.02,6.08,21.015,20]henicosa-1(21),2(6),7,12,15(20),16,18-heptaen-14-one
Structure
SMILES: COC1=CC=C2C(=C1)C(=O)C=C1C3=C(C=C4OCOC4=C32)CCN1C
InChI: InChI=1S/C20H17NO4/c1-21-6-5-11-7-17-20(25-10-24-17)19-13-4-3-12(23-2)8-14(13)16(22)9-15(21)18(11)19/h3-4,7-9H,5-6,10H2,1-2H3
InChIKey: CJCATSXSFVJKQC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Duguetia surinamensis | Duguetia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 335.3590000000001
TPSA？: 48.00000000000001
MolLogP？: 3.082800000000001
Number of H-Donors: 0
Number of H-Acceptors: 5
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 | HepG2 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b00287 |
| Homo sapiens | HL-60 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b00287 |
| Homo sapiens | MCF7 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b00287 |
| Homo sapiens | MRC5 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b00287 |