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Compound Detail

CHEMBL511744

HYDRANGEIFOLIN I
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C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL511744
Name HYDRANGEIFOLIN I
Phase Preclinical
Structure Type MOL
InChI Key SMUMBCREXHTKFN-VZOUQOBNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
-2.15
ALogP
10
HBA
6
HBD
158.3
PSA (Ų)
0.30
QED
1
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 C19H28O10
MW 416.42
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 1.49

Literature References

PubMed DOI Target Context # Activities
18412396 10.1021/np800014s Prostaglandin G/H synthase 2 1
22196120 10.1016/j.bmcl.2011.11.109 Unchecked 1
23356964 10.1021/np300609u Radical scavenging activity 1
23628332 10.1016/j.bmcl.2013.04.011 3T3-L1 1

Data from ChEMBL 36 via Core Engine