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Compound Detail

CHEMBL2269408

MUNRONIN F
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C=C1[C@@H]2[C@@H](OC(=O)C=C[C@@]2(C)[C@H]2CC(=O)OC2(C)C)[C@H](OC(C)=O)[C@@]2(C)[C@H](C(=O)O)C[C@H]3O[C@]132

Basic Information

ChEMBL ID CHEMBL2269408
Name MUNRONIN F
Phase Preclinical
Structure Type MOL
InChI Key JFTDXHGGRUSWJT-YBEVKQJRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

474.5
MW (Da)
2.18
ALogP
8
HBA
1
HBD
128.7
PSA (Ų)
0.28
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 C25H30O9
MW 474.51
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 3.32

Literature References

PubMed DOI Target Context # Activities
25798528 10.1021/np501057f Tobacco mosaic virus 4
- 10.1016/S0040-4020(03)00573-8 Pieris brassicae 2
25798528 10.1021/np501057f HL-60 1
25798528 10.1021/np501057f SMMC-7721 1
25798528 10.1021/np501057f A549 1
25798528 10.1021/np501057f MCF7 1
25798528 10.1021/np501057f SW480 1

Data from ChEMBL 36 via Core Engine