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Compound Detail

CHEMBL254229

COCHINCHINENENE A
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COc1ccc(C(CCc2ccc(O)cc2OC)c2c(OC)cc(/C=C/c3ccc(O)cc3)cc2OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254229
Name COCHINCHINENENE A
Phase Preclinical
Structure Type MOL
InChI Key IEXCFHSPKFFVGU-AATRIKPKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

526.6
MW (Da)
7.07
ALogP
6
HBA
2
HBD
77.4
PSA (Ų)
0.20
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C33H34O6
MW 526.63
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness 0.57

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