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Compound Detail

CHEMBL225702

NATSUDAIDAI
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COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225702
Name NATSUDAIDAI
Phase Preclinical
Structure Type MOL
InChI Key CCJBNIRSVUKABH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
3.22
ALogP
9
HBA
1
HBD
105.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H22O9
MW 418.40
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 1.09

Literature References

PubMed DOI Target Context # Activities
17391969 10.1016/j.bmc.2007.03.021 HL-60 2
17391969 10.1016/j.bmc.2007.03.021 NON-PROTEIN TARGET 1
22500738 10.1021/jf3012163 Aspergillus niger 1

Data from ChEMBL 36 via Core Engine