General Information of the Compound
Compound ID
CP0410484
Compound Name
7-phenylmethoxy-8-prop-2-enylchromen-2-one
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Structure
Formula
C19H16O3
Molecular Weight
292.334
Canonical SMILES
C=CCc1c(OCc2ccccc2)ccc2ccc(=O)oc12
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InChI
InChI=1S/C19H16O3/c1-2-6-16-17(21-13-14-7-4-3-5-8-14)11-9-15-10-12-18(20)22-19(15)16/h2-5,7-12H,1,6,13H2
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InChIKey
STKHKNPMRPNLCA-UHFFFAOYSA-N
Physicochemical Property
logP
4.1005
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
39.44
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 44315724
ChEMBL ID
CHEMBL308610
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01430, 3-oxo-5-alpha-steroid 4-dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  1
1
IC50 > 13683.16629 nM
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