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Compound Detail

CHEMBL454528

HULUPINIC ACID
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CC(C)=CCC1(CC=C(C)C)C(=O)C(O)=C(O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL454528
Name HULUPINIC ACID
Phase Preclinical
Structure Type MOL
InChI Key KKNXLCGOZLVUHL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
3.16
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H20O4
MW 264.32
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 1.57

Literature References

PubMed DOI Target Context # Activities
15679315 10.1021/np0499113 RAW264.7 2
29154541 10.1021/acs.jnatprod.6b00921 BV-2 1

Data from ChEMBL 36 via Core Engine