Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Z5KQ
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| Former ID |
DNC005432
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| Drug Name |
Benzoin
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| Synonyms |
BENZOIN; 119-53-9; 2-Hydroxy-1,2-diphenylethanone; 2-Hydroxy-2-phenylacetophenone; Benzoylphenylcarbinol; Benzoin tincture; Ethanone, 2-hydroxy-1,2-diphenyl-; Bitter almond oil camphor; Phenylbenzoyl carbinol; 2-hydroxy-1,2-diphenylethan-1-one; (+-)-Benzoin; DL-BENZOIN; alpha-Hydroxybenzyl phenyl ketone; 579-44-2; alpha-Hydroxy-alpha-phenylacetophenone; Benzoin resin; Phenyl-alpha-hydroxybenzyl ketone; NCI-C50011; Acetophenone, 2-hydroxy-2-phenyl-; Benzoin gum; Bitter-almond-oil camphor; Benzoin Siam; Benzoin extract (resinoid)
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C14H12O2
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| Canonical SMILES |
C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
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| InChI |
1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
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| InChIKey |
ISAOCJYIOMOJEB-UHFFFAOYSA-N
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| CAS Number |
CAS 119-53-9
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:17682
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| ADReCS Drug ID | BADD_D00239 | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Liver carboxylesterase (CES1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Drug metabolism - other enzymes | |||
| Metabolic pathways | ||||
| Pathway Interaction Database | E2F transcription factor network | |||
| WikiPathways | NRF2 pathway | |||
| Nuclear Receptors Meta-Pathway | ||||
| Heroin metabolism | ||||
| Irinotecan Pathway | ||||
| Fluoropyrimidine Activity | ||||
| Phase I biotransformations, non P450 | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Analysis of the inhibition of mammalian carboxylesterases by novel fluorobenzoins and fluorobenzils. Bioorg Med Chem. 2007 Jun 1;15(11):3801-17. | |||
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