Consensus flow list

Methoprene

fo-7b51eef0c7e88970

Identity

Type
NeutralMolecule
CAS
40596-69-8
EC
254-993-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
68 across every transformer

Structure

Structure diagram for Methoprene

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

What it is used for

2

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
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

29

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NFGXHKASABOEEW-LDRANXPESA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+
Isomeric SMILES string chemrof:isomeric_smiles_string COC(C)(C)CCCC(C)C/C=C/C(C)=C/C(=O)OC(C)C
IUPAC name chemrof:IUPAC_name (E,E)-1-Methylethyl 11-methoxy-3,7,11-trimethyl-2,4-dodecadienoate
Molecular formula chemrof:molecular_formula C19H34O3
Molecular mass chemrof:molecular_mass 310.478
Monoisotopic mass chemrof:monoisotopic_mass 310.25079, 310.250795
SMILES string chemrof:smiles_string COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C

Known URLs

20

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
beilstein beilstein:1913191 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=40596-69-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34839 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.049.977 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8032627 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL291057 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8B830OJ2UX enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J16.019I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J25.590D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14308 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D08200 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14308 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D08200 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55035 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C175133 enrich_references.pubchem_identifier_url
ppdb ppdb:1457 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5366546 enrich_references.pubchem_compound
vsdb vsdb:1457 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2329841 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Methoprene enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3c2febdf-b3cb-42cf-88a6-e968ee9aa62c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
64930aa4-7c7a-4e9b-aee3-f209fa9830fa Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d3fc6efe-3b57-4224-b79d-c3694634df3e Environmental → Air → Indoor EF 3.1 kg 4
6b9debd4-fbdc-439b-b863-a1a858a91cec Environmental → Air → Long-term EF 3.1 kg 0
5cbc6aed-e75f-440a-9e58-75dd60640acd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c7271bfc-b226-462f-8906-e2b8efee0a6c Environmental → Air → Unknown EF 3.1 kg 4
97e98ebd-4cef-43c7-9abd-261a1057969e Environmental → Ground → Agricultural EF 3.1 kg 4
fb77146d-4eac-4156-8749-6a01514f89a0 Environmental → Ground → Non-agricultural EF 3.1 kg 4
84c893ab455eec6be260a8f701125c093d326c12 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
55fc7f52-d426-4890-bd6a-b88cfad85981 Environmental → Ground → Unknown EF 3.1 kg 4
5dbb1d05-73b1-473c-88e8-19af68ce8e87 Environmental → Water → Long-term EF 3.1 kg 0
9652c674-d60f-4ff3-9521-8d5c29fe9e42 Environmental → Water → Ocean EF 3.1 kg 4
65721785-9643-478d-93af-13ab4651df20 Environmental → Water → Surface water EF 3.1 kg 4
8bffe657-f97a-44ba-b660-dbfd1eb9edc8 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (68 changes)

Open the changes page

Full record

Flow object JSON 
{
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  ],
  "altLabel": [
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    {
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    {
      "@value": "Apex",
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    {
      "@value": "Apex (pesticide)",
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    },
    {
      "@value": "Bioprene BM Fire Ant Killer Bait",
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    },
    {
      "@value": "Dianex",
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    {
      "@value": "dl-Isopropyl 11-methoxy-3,7,11-trimethyl-trans-trans-2,4-dodecadienoate",
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    },
    {
      "@value": "Isopropyl (2E,4E)-11-methoxy-3,7,11-trimethyl-2,4-dodecadienoate",
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        ],
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      }
    },
    {
      "@value": "Isopropyl (2e,4e)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate",
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    },
    {
      "@value": "isopropyl (EE)-(RS)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate",
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    },
    {
      "@value": "Juvemon",
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    },
    {
      "@value": "Juvenmon",
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      }
    },
    {
      "@value": "Kabat",
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      }
    },
    {
      "@value": "Manina",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Manta",
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      }
    },
    {
      "@value": "Manta (hormone)",
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    },
    {
      "@value": "MeSH ID: D008726",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methoprene S",
      "@language": "en",
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      }
    },
    {
      "@value": "Metoprag 20CE",
      "@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": "propan-2-yl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate",
      "@language": "en",
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    },
    {
      "@value": "Starbar Inhibitor",
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  ],
  "properties": {
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      "attested_by": {
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