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Compound Detail

CHEMBL254440

COCHINCHINENENE D
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COc1cc(O)ccc1CCC(c1ccc(O)cc1)c1c(O)cc(O)cc1/C=C/c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254440
Name COCHINCHINENENE D
Phase Preclinical
Structure Type MOL
InChI Key VJKKCVLVWDXUQG-GORDUTHDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
6.16
ALogP
6
HBA
5
HBD
110.4
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H28O6
MW 484.55
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness 0.86

Literature References

PubMed DOI Target Context # Activities
17883259 10.1021/np070260v Helicobacter pylori 1
17883259 10.1021/np070260v Prothrombin 1
17883259 10.1021/np070260v Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine