None
AlkaPlorer ID: AK323332
Synonym: None
IUPAC Name: (12R,13R)-16,17-dimethoxy-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=CC2=C(C=C1OC)[C@@H](O)[C@@H]1NCCC3=C1C2=C1OCOC1=C3
InChI: InChI=1S/C19H19NO5/c1-22-12-6-10-11(7-13(12)23-2)18(21)17-15-9(3-4-20-17)5-14-19(16(10)15)25-8-24-14/h5-7,17-18,20-21H,3-4,8H2,1-2H3/t17-,18-/m1/s1
InChIKey: KYZYPMCCLGNTAG-QZTJIDSGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Duguetia surinamensis | Duguetia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.3630000000001
TPSA？: 69.18
MolLogP？: 2.3333000000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC50 | 4000.0 | nM | 10.1021/acs.jnatprod.9b00287 |
| Homo sapiens | HepG2 | IC50 | 9100.0 | nM | 10.1021/acs.jnatprod.9b00287 |
| Homo sapiens | HL-60 | IC50 | 2000.0 | 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 |