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Compound Detail

CHEMBL112709

CHRYSOPHANEIN
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Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cccc(O)c1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL112709
Name CHRYSOPHANEIN
Phase Preclinical
Structure Type MOL
InChI Key QKPDYSSHOSPOKH-JNHRPPPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
-0.35
ALogP
9
HBA
5
HBD
153.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H20O9
MW 416.38
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.85

Literature References

PubMed DOI Target Context # Activities
10714491 10.1016/s0960-894x(99)00702-7 Mus musculus 2
15043409 10.1021/np030479j Lu1 1
15043409 10.1021/np030479j LNCaP 1
15043409 10.1021/np030479j MCF7 1
15043409 10.1021/np030479j HUVEC 1
32111435 10.1016/j.bmcl.2020.127049 Unchecked 1

Data from ChEMBL 36 via Core Engine