Consensus flow list

Identity

Type
NeutralMolecule
CAS
12771-68-5
EC
235-814-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Ancymidol

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

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HUTDUHSNJYTCAR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3
IUPAC name chemrof:IUPAC_name alpha-cyclopropyl-4-methoxy-alpha-(pyrimidin-5-yl)benzyl alcohol
Molecular formula chemrof:molecular_formula C15H16N2O2
Molecular mass chemrof:molecular_mass 256.305
Monoisotopic mass chemrof:monoisotopic_mass 256.121178, 256.12118
SMILES string chemrof:smiles_string COc1ccc(C(O)(c2cncnc2)C2CC2)cc1

Known URLs

21

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=12771-68-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73171 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.032.544 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2034338 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL280558 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3C86AL416Z enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0248390 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.859G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18774 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18774 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=66290 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-4022 enrich_references.chebi_xrefs
patent patent:FR1569940 enrich_references.chebi_xrefs
patent patent:US3818009 enrich_references.chebi_xrefs
ppdb ppdb:38 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/25572 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=529040 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/18832186 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22749285 enrich_references.chebi_xrefs
reaxys reaxys:6212277 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2846016 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2906627e-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-af7b-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2dc89847-dbd4-496b-a864-b8b1523fbb74 Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-af7a-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-af7c-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-af79-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-af77-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9c16-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-af78-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-af7e-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9c17-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-af7d-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
fe0acd60-3ddc-11dd-af7f-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-2ccbe25a69f432b3",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "(±)-Ancymidol",
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    },
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      }
    },
    {
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    {
      "@value": "Abide",
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    },
    {
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    },
    {
      "@value": "alpha-Cyclopropyl-4-methoxy-alpha-(pyrimidin-5-yl)benzylalkohol",
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    },
    {
      "@value": "Amcymidol",
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    },
    {
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    },
    {
      "@value": "Reducymol",
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    },
    {
      "@value": "Thritone",
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    },
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