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Compound Detail

CHEMBL512733

QUIANHUCOUMARIN D
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CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512733
Name QUIANHUCOUMARIN D
Phase Preclinical
Structure Type MOL
InChI Key YJOWXMGENDGFDH-IAGOWNOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

346.3
MW (Da)
2.50
ALogP
7
HBA
0
HBD
92.0
PSA (Ų)
0.61
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 C18H18O7
MW 346.34
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 2.17

Literature References

PubMed DOI Target Context # Activities
27397496 10.1016/j.bmcl.2016.06.071 ADMET 35
27397496 10.1016/j.bmcl.2016.06.071 Rattus norvegicus 20
12088423 10.1021/np010448t Amaranthus hypochondriacus 1
12088423 10.1021/np010448t Echinochloa crus-galli 1

Data from ChEMBL 36 via Core Engine