UCSF

ZINC00388262

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 Yes

Popular Name: 4-Hydroxy-3-methoxyphenylacetic acid 4-Hydroxy-3-methoxyphenylacetic …

Find On: PubMed — Wikipedia — Google

CAS Numbers: 306-08-1 , [306-08-1]

Other Names:

(4-Hydroxy-3-methoxyphenyl)acetate; (4-Hydroxy-3-methoxyphenyl)acetic acid; 3-methoxy-4-hydroxy-phenylacetic acid; 3-Methoxy-4-hydroxyphenylacetate; 3-Methoxy-4-hydroxyphenylacetic acid; 4-Hydroxy-3-methoxybenzeneacetate; 4-Hydroxy-3-methoxybenzeneacetic

(4-Hydroxy-3-methoxyphenyl)acetate;(4-Hydroxy-3-methoxyphenyl)acetic acid;3-Methoxy-4-hydroxy-phenylacetic acid;3-Methoxy-4-hydroxyphenylacetate;3-Methoxy-4-hydroxyphenylacetic acid;4-hydroxy 3-methoxyphenylacetic acid;4-Hydroxy-3-methoxybenzeneacetate;4-

(4-Hydroxy-3-methoxyphenyl)acetate;(4-Hydroxy-3-methoxyphenyl)acetic acid;3-Methoxy-4-hydroxy-phenylacetic acid;3-Methoxy-4-hydroxyphenylacetate;3-Methoxy-4-hydroxyphenylacetic acid;4-Hydroxy-3-methoxybenzeneacetate;4-Hydroxy-3-methoxybenzeneacetic acid;4

(4-HYDROXY-3-METHOXYPHENYL)ACETIC ACID; 3-Methoxy-4-hydroxyphenylacetic acid; 4-Hydroxy-3-methoxybenzeneacetic acid; 4-Hydroxy-3-methoxyphenylacetic acid; Acetic acid, (4-hydroxy-3-methoxyphenyl)- (8CI); Benzeneacetic acid, 4-hydroxy-3-methoxy-; HMPA; HVA

2-(4-Hydroxy-3-methoxyphenyl)acetic acid

3-Methoxy-4-hydroxyphenyl acetic acid

3-methoxy-4-hydroxyphenylacetate; 3-methoxy-4-hydroxyphenylacetic acid; 4-hydroxy-3-methoxybenzenacetic acid; 4-hydroxy-3-methoxyphenylacetic acid; CPD-7651; homovanillate; homovanillic acid; vanillacetic acid

3-Methoxy-4-hydroxyphenylacetate; 306-08-1; C05582; Homovanillate; Homovanillic acid

3-Methoxy-4-hydroxyphenylacetic acid; 4-Hydroxy-3-methoxybenzeneacetic acid; HVA; Vanillacetic acid

4-Hydroxy-3-Methoxyphenylacetic Acid [306-08-1]; (Homovanillic Acid)

4-HYDROXY-3-METHOXYPHENYLACETIC ACID; [306-08-1]

4-Hydroxy-3-methoxyphenylacetic acid;Homovanillic acid

CHEBI:5758

Homovanillic acid

Homovanillic acid, 98%

Homovanillic acid, 98+%

HomovanillicAcid

Homovaniuic acid

HYDROXYMETHOXYPHENYLACETICACI

MFCD00004350

n / a

N/A

SS-9275

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) 0.70 2.96 -46.24 1 4 -1 70 181.167 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 140-145? Alfa-Aesar
Melting_Point 140-145° Alfa-Aesar
Mp [°C] 141 - 145 Acros Organics
MP 142-145° Matrix Scientific
MP 143 TCI
MP 147.7-143.5o C Indofine
Purity 97% Matrix Scientific
Purity 99% APIChem
UniProt Database Links CO164_CONVC; CO6A_CONPE; CO6B_CONPE; TOT1A_ATRRO; TOT1A_HADVE; TOT1B_ATRRO; TOT1C_ATRRO; TOT1D_ATRRO; TOT1E_ATRRO; TOT1F_ATRRO ChEBI
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
SOLUBILITY Soluble in Ethyl acetate Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-11-O Plasmodium Falciparum (cluster #11 Of 22), Other Other 316 0.70 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 316.227766 0.70 Functional ≤ 10μM

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