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(E)-3-Phenyl-acrylic acid 5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl ester

ID: ALA367979

Chembl Id: CHEMBL367979

PubChem CID: 12019530

Max Phase: Preclinical

Molecular Formula: C24H16O5

Molecular Weight: 384.39

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: O=C(/C=C/c1ccccc1)Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1

Standard InChI: InChI=1S/C24H16O5/c25-19-13-18(28-23(27)12-11-16-7-3-1-4-8-16)14-22-24(19)20(26)15-21(29-22)17-9-5-2-6-10-17/h1-15,25H/b12-11+

Standard InChI Key: PWPJKKQTSJXUBC-VAWYXSNFSA-N

Parent:

ALA367979
(5-hydroxy-4-oxo-2-phenylchromen-7-yl) (E)-3-phenylprop-2-enoate

Mus musculus (284745 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RBL-2H3 (1162 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Syk Tyrosine-protein kinase SYK (71 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plcg1 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-1 (11 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plcg2 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-2 (5 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Molecular Weight: 384.39	Molecular Weight (Monoisotopic): 384.0998	AlogP: 4.78	#Rotatable Bonds: 4
Polar Surface Area: 76.74	Molecular Species: NEUTRAL	HBA: 5	HBD: 1
#RO5 Violations: ┄	HBA (Lipinski): 5	HBD (Lipinski): 1	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 6.92	CX Basic pKa: ┄	CX LogP: 5.51	CX LogD: 4.92
Aromatic Rings: 4	Heavy Atoms: 29	QED Weighted: 0.31	Np Likeness Score: 0.77

1. Shin JS, Kim KS, Kim MB, Jeong JH, Kim BK.. (1999) Synthesis and hypoglycemic effect of chrysin derivatives., 9 (6): [PMID:10206552] [10.1016/s0960-894x(99)00092-x]
2. Itoh T, Ninomiya M, Yasuda M, Koshikawa K, Deyashiki Y, Nozawa Y, Akao Y, Koketsu M.. (2009) Inhibitory effects of flavonoids isolated from Fragaria ananassa Duch on IgE-mediated degranulation in rat basophilic leukemia RBL-2H3., 17 (15): [PMID:19596200] [10.1016/j.bmc.2009.06.050]

Source(1):