UCSF

ZINC03881558

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 22 Yes

CAS Numbers: 480-16-0 , 6202-27-3 , 6472-38-4 , 654055-01-3 , [480-16-0] , [654055-01-3]

Other Names:

"Morin hydrate, 90%"

2',3,4',5,7-Pentahydroxy-Flavone;2',4',3,5,7-Pentahydroxyflavone;2',4',5, 7-Tetrahydroxyflavan-3-ol;2',4',5,7-Tetrahydroxyflavan-3-ol;2',4',5,7-Tetrahydroxyflavonol;2'-Hydroxypelargidenolon 1522;2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-o

2',3,4',5,7-Pentahydroxyflavone; 2',4',3,5,7-Pentahydroxyflavone; 2',4',5,7-Tetrahydroxyflavan-3-ol; 2',4',5,7-Tetrahydroxyflavonol; 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one; C.I.Natural Yellow 8

2',3,4',5,7-Pentahydroxyflavone; 2',4',3,5,7-Pentahydroxyflavone; 2',4',5,7-Tetrahydroxyflavan-3-ol; 2'-Hydroxypelargidenolon 1522; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one; 3,5,7,2',4'-Pentahydroxyflavone; 3,5,7,2',4'-Pentahydroxyfl

2',4',5,7-Tetrahydroxyflavonol

2',4',5,7-Tetrahydroxyflavonol; 2'-Hydroxypelargidenolon 1522

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

C.I. Natural yellow 11

C.I. Natural yellow 8

CHEBI:6998

DNC006614

MFCD00006826

MFCD00149484

MFCD00217054

Morin [480-16-0]; (3,5,7,2',4'-Pentahydroxyflavone)

Morin dihydrate

Morin hydrate

Morin hydrate (Aurantica)

Morin with HPLC [480-16-0]; (3,5,7,2',4'-Pentahydroxyflavone)

Morin with HPLC [480-16-0]; (3,5,72',4'-Pentahydroxyflavone)

N/A

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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

Vendor Notes

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

Activity (Go SEA)

Clustered Target Annotations
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
ChEMBL Target Annotations
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

Reactome Annotations from Targets (via Uniprot)

Description Species
Organic anion transport

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.