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Compound Detail

CHEMBL396671

HOMOPTEROCARPIN
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COc1ccc2c(c1)O[C@H]1c3ccc(OC)cc3OC[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL396671
Name HOMOPTEROCARPIN
Phase Preclinical
Structure Type MOL
InChI Key VPGIGLKLCFOWDN-YOEHRIQHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
3.31
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H16O4
MW 284.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.41

Literature References

PubMed DOI Target Context # Activities
17158054 10.1016/j.bmc.2006.09.024 U-937 3
15787450 10.1021/np049854d CCRF-CEM 1
15787450 10.1021/np049854d HL-60 1
15787450 10.1021/np049854d HCT-8 1
15787450 10.1021/np049854d MCF7 1
15787450 10.1021/np049854d B16 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1

Data from ChEMBL 36 via Core Engine