11-Methoxyduguesuramine
AlkaPlorer ID: AK047317
Synonym: None
IUPAC Name: 17,18-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.8.1.02,6.08,21.015,20]henicosa-1(21),2(6),7,12,15,17,19-heptaen-14-one
Structure
SMILES: COC1=CC2=C(C=C1OC)C1=C3OCOC3=CC3=C1C(=CC2=O)N(C)CC3
InChI: InChI=1S/C21H19NO5/c1-22-5-4-11-6-18-21(27-10-26-18)20-13-8-17(25-3)16(24-2)7-12(13)15(23)9-14(22)19(11)20/h6-9H,4-5,10H2,1-3H3
InChIKey: JBCBRQWZEJZJJP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Duguetia surinamensis | Duguetia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 365.3850000000001
TPSA？: 57.23
MolLogP？: 3.091400000000001
Number of H-Donors: 0
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 | 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 |