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1-Naphthaleneacetic acid

fo-d88498cb20a31276

Identity

Type
Neutral molecule
CAS
86-87-3
EC
201-705-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for 1-Naphthaleneacetic acid

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

43

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PRPINYUDVPFIRX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
IUPAC name chemrof:IUPAC_name 1-Naphthaleneacetic acid
Molecular formula chemrof:molecular_formula C12H10O2
Molecular mass chemrof:molecular_mass 186.21
Monoisotopic mass chemrof:monoisotopic_mass 186.06808
SMILES string chemrof:smiles_string O=C(O)Cc1cccc2ccccc12

Known URLs

28

Where 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
bpdb bpdb:1330 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=86-87-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32918 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.551 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020915 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01750 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01750 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15772 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL428495 enrich_references.pubchem_identifier_url
gmelin gmelin:2062516 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/33T7G7757C enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032708 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.267F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C13014 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D01558 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C13014 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D01558 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45700 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:NLA enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL428495 enrich_references.pubchem_identifier_url
ppdb ppdb:1330 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6862 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017630 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24272685 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24690897 enrich_references.chebi_xrefs
reaxys reaxys:1308415 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q161660 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1-Naphthaleneacetic_acid enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
d8f8384e-5cc0-4a35-84c8-ec6f8185e572 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8b952ea3-7666-410f-82dc-54aeae9af708 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b3189862-11de-428f-b742-e5831b91aa33 Environmental → Air → Indoor EF 3.1 kg 4
dc1d8b02-4539-4738-92c1-f237fa702b17 Environmental → Air → Long-term EF 3.1 kg 0
48085120-e278-4adf-95bc-fb9520dacfd1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3a7b4445-bbe3-4f21-9eab-f28229a8318d Environmental → Air → Unknown EF 3.1 kg 4
88ae9a86-e39f-4488-80fd-65ae4e13e1de Environmental → Ground → Agricultural EF 3.1 kg 4
8d3013a5-765c-4023-a19b-b3816426482f Environmental → Ground → Non-agricultural EF 3.1 kg 4
e60bbde3bf539ce7cc43a34a2edc0b41d2199a75 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
124d4be6-e11c-4f4a-bf1f-60679b429dae Environmental → Ground → Unknown EF 3.1 kg 4
8a9a618c-70d7-45e9-adcb-b8346ab2203f Environmental → Water → Long-term EF 3.1 kg 0
3f29549d-7751-47e8-b621-f781fb27f253 Environmental → Water → Ocean EF 3.1 kg 4
2a8500e02537fe5a518557f0ff38c5ca4203bf36 Environmental → Water → River agribalyse algorithm addition kg 0
04b3f063-817a-4ef5-8f49-dbde6b8ae571 Environmental → Water → Surface water EF 3.1 kg 4
f53c6efc-1f24-4b4f-a194-e8b3fc690603 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-d88498cb20a31276",
  "prefLabel": [
    {
      "@value": "1-Naphthaleneacetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:86-87-3",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(naphthalen-1-yl)acetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_32918"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-Carboxymethylnaphthalene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:86-87-3",
          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-NAA",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-naphthylacetic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "2-(1-Naphthyl)acetic acid",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(Naphthalen-1-yl)acetic acid",
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      }
    },
    {
      "@value": "2-(α-Naphthyl)ethanoic acid",
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    {
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    },
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      "@value": "Fruitone N",
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    {
      "@value": "Germon",
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          "https://commonchemistry.cas.org/detail?cas_rn=86-87-3"
        ],
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      }
    },
    {
      "@value": "Nafusaku",
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        ],
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      }
    },
    {
      "@value": "NAPHTHALEN-1-YL-ACETIC ACID",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "naphthalen-1-ylacetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_32918"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "naphthalene-1-acetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_32918"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Naphthaleneacetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=86-87-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Naphthylacetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=86-87-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phyomone",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Planofix",
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    },
    {
      "@value": "Planofixe",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "PoMaxa",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pomoxon",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Raizon 05",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rasin",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rhizopon B",
      "@language": "en",
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        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_32918"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "reaxys:1308415",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_32918"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "04b3f063-817a-4ef5-8f49-dbde6b8ae571",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "86-87-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=86-87-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=86-87-3"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "201-705-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=201-705-8"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A naphthylacetic acid substituted by a carboxymethyl group at position 1.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_32918"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_26155",
      "rdfs:label": "plant growth regulator",
      "http://www.w3.org/2004/02/skos/core#definition": "A chemical, natural or artificial, that can affect the rate of growth of a plant.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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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

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