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Compound Detail

CHEMBL4551931

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O=C(O)/C=C/C=C1\[C@@H](O)C[C@H](O)C12Oc1cccc3cccc(c13)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4551931
Phase Preclinical
Structure Type MOL
InChI Key GYUMSFUODMAKEE-SDBOVWJISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

340.3
MW (Da)
2.00
ALogP
5
HBA
3
HBD
96.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H16O6
MW 340.33
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.66

Literature References

PubMed DOI Target Context # Activities
31599583 10.1021/acs.jnatprod.9b00604 Micrococcus luteus 1
31599583 10.1021/acs.jnatprod.9b00604 Candida albicans 1
31599583 10.1021/acs.jnatprod.9b00604 Mucor hiemalis 1
31599583 10.1021/acs.jnatprod.9b00604 Wickerhamomyces anomalus 1
31599583 10.1021/acs.jnatprod.9b00604 Rhodotorula glutinis 1
31599583 10.1021/acs.jnatprod.9b00604 Schizosaccharomyces pombe 1
31599583 10.1021/acs.jnatprod.9b00604 Staphylococcus aureus 1
31599583 10.1021/acs.jnatprod.9b00604 Bacillus subtilis 1
31599583 10.1021/acs.jnatprod.9b00604 Chromobacterium violaceum 1
31599583 10.1021/acs.jnatprod.9b00604 Escherichia coli 1
31599583 10.1021/acs.jnatprod.9b00604 A-431 1
31599583 10.1021/acs.jnatprod.9b00604 Mycolicibacterium smegmatis 1
31599583 10.1021/acs.jnatprod.9b00604 Pseudomonas aeruginosa 1
31599583 10.1021/acs.jnatprod.9b00604 Caenorhabditis elegans 1
31599583 10.1021/acs.jnatprod.9b00604 L929 1
31599583 10.1021/acs.jnatprod.9b00604 KB 3-1 1
31599583 10.1021/acs.jnatprod.9b00604 MCF7 1
31599583 10.1021/acs.jnatprod.9b00604 A549 1
31599583 10.1021/acs.jnatprod.9b00604 PC-3 1
31599583 10.1021/acs.jnatprod.9b00604 SK-OV-3 1

Data from ChEMBL 36 via Core Engine