| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 22 | Yes |
Popular Name: Morin Morin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 480-16-0 , 6202-27-3 , 6472-38-4 , 654055-01-3 , [480-16-0] , [654055-01-3]
2',4',5,7-Tetrahydroxyflavonol
2',4',5,7-Tetrahydroxyflavonol; 2'-Hydroxypelargidenolon 1522
2-(2,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one
2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
2Õ,3,4Õ,5,7-Pentahydroxyflavone, C.I. No. 75660
3,5,7,2',4'-Pentahydroxyflavone; 480-16-0; C.I.Natural Yellow 8; C10105; Morin
3,5,7,2',4'-Pentahydroxyflavonol
Morin [480-16-0]; (3,5,7,2',4'-Pentahydroxyflavone)
Morin with HPLC [480-16-0]; (3,5,7,2',4'-Pentahydroxyflavone)
Morin with HPLC [480-16-0]; (3,5,72',4'-Pentahydroxyflavone)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.88 | -3.61 | -12.59 | 5 | 7 | 0 | 131 | 302.238 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | -3.35 | -44.42 | 4 | 7 | -1 | 134 | 301.23 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | Lipid-peroxidation inhibitor in rat liver microsomes | ZereneX Building Blocks |
| M.P. | 290-292 C | Indofine |
| MP | 290-292o C | Indofine |
| Mp [°C] | 300 | Acros Organics |
| Purity | 95% | Fluorochem |
| biological_use | Antiinflammatory | IBScreen Bioactives |
| biological_use | Bioflavonoid | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Bioflavonoid; Antiinflammatory | ZereneX Building Blocks |
| biological_source | Constit. of various woods, e.g. Morus alba. First isol. in 1830 | ZereneX Building Blocks |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed; H351: Suspected of causing cancer | Acros Organics |
| Target | Interleukin-6(P05231)&Caspase-3(P42574)&Immediate early response 3-interacting protein 1(Q9Y5U9)&Heparanase(Q9Y251)&CD44 antigen(P16070)&Intercellular adhesion molecule 1(P05362)&Transcription factor p65(Q04206)&72 kDa type IV collagenase(P08253) | Herbal Ingredients Targets |
| mechanism | Lipid-peroxidation inhibitor in rat liver microsomes | IBScreen Bioactives |
| Target | Others | Selleck Chemicals |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| Therapy | P450 and ATPase inhibitor | SMDC MicroSource |
| UniProt Database Links | PA2_BUNCI | ChEBI |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R40: Limited evidence of a carcinogenic effect. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| biological_use | Shows antiperoxidative activity in vitro and anti-HIV activity | IBScreen Bioactives |
| SOLUBILITY | Toluene/ethylformate/formic acid (5/4/1,V/V/V) | Indofine |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| M.P. | ~295 C dec. | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q965D5-1-E | Enoyl-acyl-carrier Protein Reductase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.34 | Binding ≤ 10μM |
| Q965D6-1-E | 3-oxoacyl-acyl-carrier Protein Reductase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2300 | 0.36 | Binding ≤ 10μM |
| Q965D7-2-E | Fatty Acid Synthase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8000 | 0.32 | Binding ≤ 10μM |
| S22AC-1-E | Solute Carrier Family 22 Member 12 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5740 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q965D6_PLAFA | Q965D6 | 3-oxoacyl-acyl-carrier Protein Reductase, Plafa | 2300 | 0.36 | Binding ≤ 10μM |
| Q965D5_PLAFA | Q965D5 | Enoyl-acyl-carrier Protein Reductase, Plafa | 5000 | 0.34 | Binding ≤ 10μM |
| Q965D7_PLAFA | Q965D7 | Fatty Acid Synthase, Plafa | 8000 | 0.32 | Binding ≤ 10μM |
| S22AC_HUMAN | Q96S37 | Solute Carrier Family 22 Member 12, Human | 2000 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Organic anion transport |
No pre-computed analogs available. Try a structural similarity search.