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Compound Detail

CHEMBL1075722

XYLOCCENSIN P
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COC(=O)[C@H](OC(C)=O)[C@H]1[C@]2(C)C[C@]3(O)[C@@](OC(C)=O)([C@H]4O[C@@]5(C)O[C@@]6(CC[C@@]7(C)[C@H](c8ccoc8)OC(=O)C[C@@]7(O)[C@@]46O5)[C@]13C)[C@H]2OC(C)=O

Basic Information

ChEMBL ID CHEMBL1075722
Name XYLOCCENSIN P
Phase Preclinical
Structure Type MOL
InChI Key GFLIESFIYQDBCP-LIFKDJGQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

718.7
MW (Da)
1.52
ALogP
16
HBA
2
HBD
212.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C35H42O16
MW 718.71
Aromatic Rings 1
Heavy Atoms 51
NP-Likeness 2.54

Literature References

PubMed DOI Target Context # Activities
19908853 10.1021/np900640u NON-PROTEIN TARGET 2
19908853 10.1021/np900640u SW-620 1
19908853 10.1021/np900640u BT-474 1
19908853 10.1021/np900640u HepG2 1
- 10.1016/j.tet.2005.06.099 Mythimna separata 1

Data from ChEMBL 36 via Core Engine