| IPAD-DB ID | C00484 |
| Name | Naringenin |
| Category | Natural compounds |
| 2D Structure |
|
| 3D Structure | |
| Molecular Formula | C 1 5 H 1 2 O 5 |
| Molecular Weight | 272.25g/mol |
| IUPAC Name | 5, 7-dihydroxy-2-(4-hydroxyphenyl)-2, 3-dihydrochromen-4-one |
| InChI | InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6, 13, 16-18H, 7H2 |
| InChIKey | FTVWIRXFELQLPI-UHFFFAOYSA-N |
| Canonical SMILES | C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O |
| PubChem CID | 932 |
| DrugBank Accession Number | - |
| CAS Registry Number | 67604-48-2, 480-41-1 |
| Molecular Weight(Computed by SwissADME) | 272.25 |
| Hac(Computed by SwissADME) | 20 |
| Volume(Computed by ADMETlab 2.0) | 267.823 |
| Density(Computed by ADMETlab 2.0) | 1.016 |
| nRing(Computed by ADMETlab 2.0) | 3 |
| MaxRing(Computed by ADMETlab 2.0) | 10 |
| nHet(Computed by ADMETlab 2.0) | 5 |
| 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) | 1 |
| LogS(Computed by ADMETlab 2.0) | -3.876 |
| LogD(Computed by ADMETlab 2.0) | 2.523 |
| logP(Computed by ADMETlab 2.0) | 2.562 |
| TPSA(Computed by SwissADME) | 86.99 |
| Hbond Acceptor(Computed by SwissADME) | 5 |
| Hbond Donor(Computed by SwissADME) | 3 |
| Rotatable Bonds(Computed by SwissADME) | 1 |
| GI Absorption(Computed by SwissADME) | High |
| BBB(blood-brain barrier) Permeant(Computed by SwissADME) | No |
| P-gp Substrate(Computed by SwissADME) | Yes |
| CYP1A2 Inhibitor(Computed by SwissADME) | Yes |
| CYP2C19 Inhibitor(Computed by SwissADME) | No |
| CYP2C9 Inhibitor(Computed by SwissADME) | No |
| CYP2D6 Inhibitor(Computed by SwissADME) | No |
| CYP3A4 Inhibitor(Computed by SwissADME) | Yes |
| log Kp(Skin Permeation)(Computed by SwissADME) | -6.17 |
| 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 |