IPAD-DB ID | D01002 |
Name | 6,7-dihydroxyflavone |
Category | Drugs |
2D Structure |
|
3D Structure | |
Molecular Formula | C 1 5 H 1 0 O 4 |
Molecular Weight | 254.24 |
IUPAC Name | 6,7-dihydroxy-2-phenylchromen-4-one |
InChI | InChI=1S/C15H10O4/c16-11-7-14(9-4-2-1-3-5-9)19-15-8-13(18)12(17)6-10(11)15/h1-8,17-18H |
InChIKey | GSAOUZGPXSGVRS-UHFFFAOYSA-N |
Canonical SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3O2)O)O |
PubChem CID | 5353357 |
DrugBank Accession Number | - |
CAS Registry Number | - |
Ki | - |
EC50 | - |
IC50 | - |
Inhibition | - |
Toxicity | - |
ROS(reactive oxygen species) | - |
Metal Chelating | - |
BBB(blood-brain barrier) | - |
Target Protein | Aβ |
Effects | - |
Research Models | - |
Ref. Link |
Molecular Weight(Computed by SwissADME) | 254.24 |
Hac(Computed by SwissADME) | 19 |
Volume(Computed by ADMETlab 2.0) | 256.396 |
Density(Computed by ADMETlab 2.0) | 0.991 |
nRing(Computed by ADMETlab 2.0) | 3 |
MaxRing(Computed by ADMETlab 2.0) | 10 |
nHet(Computed by ADMETlab 2.0) | 4 |
fChar(Computed by ADMETlab 2.0) | 0 |
nRig(Computed by ADMETlab 2.0) | 18 |
Flexibility(Computed by ADMETlab 2.0) | 0.056 |
Stero Centers(Computed by ADMETlab 2.0) | 0 |
LogS(Computed by ADMETlab 2.0) | -3.598 |
LogD(Computed by ADMETlab 2.0) | 2.829 |
logP(Computed by ADMETlab 2.0) | 3.338 |
TPSA(Computed by SwissADME) | 70.67 |
Hbond Acceptor(Computed by SwissADME) | 4 |
Hbond Donor(Computed by SwissADME) | 2 |
Rotatable Bonds(Computed by SwissADME) | 1 |
GI Absorption(Computed by SwissADME) | High |
BBB(blood-brain barrier) Permeant(Computed by SwissADME) | Yes |
P-gp Substrate(Computed by SwissADME) | No |
CYP1A2 Inhibitor(Computed by SwissADME) | Yes |
CYP2C19 Inhibitor(Computed by SwissADME) | No |
CYP2C9 Inhibitor(Computed by SwissADME) | No |
CYP2D6 Inhibitor(Computed by SwissADME) | Yes |
CYP3A4 Inhibitor(Computed by SwissADME) | Yes |
log Kp(Skin Permeation)(Computed by SwissADME) | -5.54 |
Lipinski(Computed by SwissADME) | 0 |
Ghose(Computed by SwissADME) | 0 |
Veber(Computed by SwissADME) | 0 |
Egan(Computed by SwissADME) | 0 |
Muegge(Computed by SwissADME) | 0 |
Bioavailability Score(Computed by SwissADME) | 0.55 |