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Compound Detail

CHEMBL465858

DIHYDROCITRINONE
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Cc1c(O)c(C(=O)O)c(O)c2c1[C@H](C)[C@@H](C)OC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL465858
Name DIHYDROCITRINONE
Phase Preclinical
Structure Type MOL
InChI Key VVVMDYGNIVXIIG-INEUFUBQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

266.2
MW (Da)
1.77
ALogP
5
HBA
3
HBD
104.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H14O6
MW 266.25
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 2.03

Literature References

PubMed DOI Target Context # Activities
18281952 10.1021/np0704708 Radical scavenging activity 1
21761866 10.1021/jm200511x HL-60 1
21761866 10.1021/jm200511x HCT-116 1
21761866 10.1021/jm200511x KB 1
26295595 10.1021/acs.jnatprod.5b00450 Aeromonas hydrophila 1
26295595 10.1021/acs.jnatprod.5b00450 Edwardsiella tarda 1
26295595 10.1021/acs.jnatprod.5b00450 Vibrio alginolyticus 1
26295595 10.1021/acs.jnatprod.5b00450 Vibrio anguillarum 1
26295595 10.1021/acs.jnatprod.5b00450 Vibrio harveyi 1
26295595 10.1021/acs.jnatprod.5b00450 Vibrio parahaemolyticus 1
38547118 10.1021/acs.jnatprod.3c00765 Colletotrichum gloeosporioides 1

Data from ChEMBL 36 via Core Engine