UCSF

ZINC00901834

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 10 No

Popular Name: 2-(4-Hydroxyphenyl)acetaldehyde 2-(4-Hydroxyphenyl)acetaldehyde

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CAS Numbers: 7339-87-9 , [7339-87-9]

Download: MOL2 SDF SMILES Flexibase

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) 1.46 -0.23 -7.42 1 2 0 37 136.15 2 ↓

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP1574217 ChEBI
UniProt Database Links FEAB_ECOLI; NCS1_COPJA; NCS2_COPJA; NCS_THLFG ChEBI
Reactome Database Links REACT_1260 ChEBI

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Direct Reactome Annotations (via ChEBI)

Description Species
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2

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