Propyl 3,4,5-trihydroxybenzoate
fo-ca0a6c11e3f62320
Identity
- Type
- Neutral molecule
- CAS
- 121-79-9
- EC
- 204-498-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
16- 3,4,5-Trihydroxybenzoic acid propyl ester
- Antioxidant PG
- Benzoic acid, 3,4,5-trihydroxy-, propyl ester
- Gallic acid n-propyl ester
- Gallic acid, propyl ester
- GAPR
- Hemostyptin
- Marupi Gallate
- MeSH ID: D011435
- n-Propyl 3,4,5-trihydroxybenzoate
- n-Propyl gallate
- Nipagallin P
- Nipanox S 1
- Progallin P
- Propyl gallate
- Tenox PG
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ZTHYODDOHIVTJV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3 |
| IUPAC name chemrof:IUPAC_name | Propyl 3,4,5-trihydroxybenzoate |
| Molecular formula chemrof:molecular_formula | C10H12O5 |
| Molecular mass chemrof:molecular_mass | 212.201 |
| Monoisotopic mass chemrof:monoisotopic_mass | 212.06847, 212.068473 |
| SMILES string chemrof:smiles_string | CCCOC(=O)c1cc(O)c(O)c(O)c1 |
Known URLs
22Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=121-79-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:10607 | enrich_references.chebi_id_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5021201 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB12450 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2626 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL7983 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/propyl-gallate | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8D4SNN7V92 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0033835 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.925D | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C11155 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D02382 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C11155 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D02382 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46229 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76728 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL7983 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4947 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=039566 | enrich_references.pubchem_identifier_url |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1311134 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q608726 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Propyl_gallate | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| eecf52d2-28ab-4835-a453-51463243f74c | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| fdd56fa0-5ca5-4f79-baad-308e80d67da3 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 4687d355-657b-44a5-bfa5-957980aec650 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| ed292f89-b31c-46ef-a67a-ff25b2cc8c6f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ba6031cf-defa-44f6-af49-737b8aa82825 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 089a7390-8e1f-41f2-9dff-875384b2bd63 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 4e0f6abb-05a4-4eb1-8c79-f258730df949 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 479e6e66-9222-4fc9-9fe9-232728aed003 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 5395a7ac-b53a-4cc4-8010-806780fcca5a | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 9fff9458-2765-451a-9481-aa2d6e00ee93 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a043e97b-fd4a-482f-a494-3b2d408030be | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 6fc7b54a-e68e-4c49-a689-125779a572b8 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| f9da10ab-e379-4e79-935d-bda9f347ce7e | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works