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Compound Detail

CHEMBL1782239

COCHINENSOXANTHONE
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CC(C)=CCC/C(C)=C/Cc1c(O)c2c(c3c(=O)c4cc(O)ccc4oc13)OC(C)(C)[C@@H](O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1782239
Name COCHINENSOXANTHONE
Phase Preclinical
Structure Type MOL
InChI Key GZOFBXLMLDTZJM-NAVGAYGYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
5.67
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H32O6
MW 464.56
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 2.63

Literature References

PubMed DOI Target Context # Activities
21428375 10.1021/np200051j HT-29 2
21428375 10.1021/np200051j Transcription factor p65 1

Data from ChEMBL 36 via Core Engine