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Name |
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
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Molecular Formula | C15H12O5 | |
IUPAC Name* |
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
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SMILES |
C1[C@@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
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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/t13-/m1/s1
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InChIKey |
FTVWIRXFELQLPI-CYBMUJFWSA-N
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Synonyms |
17654-19-2; (R)-naringenin; (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; (2R)-naringenin; naringenin; R-naringenin; (+)-naringenin; R-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one; (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; MFCD03265520; (R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one; (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; (+)-(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one; 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; ZINC1785; SCHEMBL17166263; CHEBI:50201; (2R)-5,7,4'-trihydroxyflavone; HMS3468H18; (2R)-4',5,7-trihydroxyflavanone; ALBB-015405; BBL010488; STK801623; AKOS004119880; (2R)-4',5,7-trihydroxyflavan-4-one; VS-02527; BB 0261506; CS-0207596; E82461; EN300-7380656; Q27121979; 4H-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R)-
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CAS | NA | |
PubChem CID | 667495 | |
ChEMBL ID | NA |
Chemical Classification: |
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Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference | |
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Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference |
Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name | |
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Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name |
Molecular Weight: | 272.25 | ALogp: | 2.4 |
HBD: | 3 | HBA: | 5 |
Rotatable Bonds: | 1 | Lipinski's rule of five: | Accepted |
Polar Surface Area: | 87.0 | Aromatic Rings: | 3 |
Heavy Atoms: | 20 | QED Weighted: | 0.741 |
Caco-2 Permeability: | -4.918 | MDCK Permeability: | 0.00000645 |
Pgp-inhibitor: | 0.005 | Pgp-substrate: | 0.001 |
Human Intestinal Absorption (HIA): | 0.007 | 20% Bioavailability (F20%): | 0.982 |
30% Bioavailability (F30%): | 0.996 |
Blood-Brain-Barrier Penetration (BBB): | 0.04 | Plasma Protein Binding (PPB): | 93.61% |
Volume Distribution (VD): | 0.567 | Fu: | 6.23% |
CYP1A2-inhibitor: | 0.941 | CYP1A2-substrate: | 0.137 |
CYP2C19-inhibitor: | 0.836 | CYP2C19-substrate: | 0.059 |
CYP2C9-inhibitor: | 0.85 | CYP2C9-substrate: | 0.954 |
CYP2D6-inhibitor: | 0.758 | CYP2D6-substrate: | 0.713 |
CYP3A4-inhibitor: | 0.834 | CYP3A4-substrate: | 0.148 |
Clearance (CL): | 15.779 | Half-life (T1/2): | 0.807 |
hERG Blockers: | 0.065 | Human Hepatotoxicity (H-HT): | 0.353 |
Drug-inuced Liver Injury (DILI): | 0.938 | AMES Toxicity: | 0.378 |
Rat Oral Acute Toxicity: | 0.715 | Maximum Recommended Daily Dose: | 0.716 |
Skin Sensitization: | 0.915 | Carcinogencity: | 0.668 |
Eye Corrosion: | 0.007 | Eye Irritation: | 0.945 |
Respiratory Toxicity: | 0.629 |
Similar NPs | Similar Drugs | ||||||
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NPs ID | NPs 2D Structure | Similarity Score | TTD ID | Drug 2D Structure | Similarity Score | ||
ENC001068 | 0.701 | D07MGA | 0.671 | ||||
ENC000700 | 0.671 | D0R6BI | 0.402 | ||||
ENC000940 | 0.541 | D0AZ8C | 0.375 | ||||
ENC005245 | 0.506 | D04AIT | 0.357 | ||||
ENC001550 | 0.474 | D06TJJ | 0.333 | ||||
ENC001533 | 0.474 | D0K8KX | 0.333 | ||||
ENC001548 | 0.462 | D04XEG | 0.330 | ||||
ENC000320 | 0.443 | D03UOT | 0.322 | ||||
ENC000699 | 0.443 | D0I9HF | 0.318 | ||||
ENC002499 | 0.434 | D0J7RK | 0.297 |