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Compound Detail

CHEMBL2071526

ALTISSIMACOUMARIN D
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COc1cc2ccc(=O)oc2c(OC)c1OC/C=C(\C)CCC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2071526
Name ALTISSIMACOUMARIN D
Phase Preclinical
Structure Type MOL
InChI Key GEBSUJHFARTCMC-RVDMUPIBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
4.88
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H26O5
MW 358.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.69

Literature References

PubMed DOI Target Context # Activities
22799262 10.1021/np300258u NAD-dependent protein deacetylase sirtuin-1 5
36529937 10.1021/acs.jnatprod.2c00844 Peroxisome proliferator-activated receptor gamma 1
36529937 10.1021/acs.jnatprod.2c00844 Mesenchymal stem cells 1

Data from ChEMBL 36 via Core Engine