Consensus flow list

Lynestrenol

fo-c652a52d4ae43e36

Identity

Type
Neutral molecule
CAS
52-76-6
EC
200-151-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Lynestrenol

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

Alternative labels

28

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YNVGQYHLRCDXFQ-XGXHKTLJSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3, InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
IUPAC name chemrof:IUPAC_name (8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
Molecular formula chemrof:molecular_formula C20H28O
Molecular mass chemrof:molecular_mass 284.443
Monoisotopic mass chemrof:monoisotopic_mass 284.214016, 284.21402
SMILES string chemrof:smiles_string C#CC1(O)CCC2C3CCC4=CCCCC4C3CCC21C

Known URLs

24

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=52-76-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31790 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.139 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021478 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB12474 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1620 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1620 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=37725 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=73879 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2107431 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N2Z8ALG4U5 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.134C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C13037 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D01580 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C13037 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D01580 enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMST02030127 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=35413 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C90969 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL2107431 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5857 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=124544 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2071071 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Lynestrenol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2c456cee-874a-4110-a28f-c317c36ca52b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f90fd1ba-b3d7-40b5-8f07-3254b46b1116 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
320f8021-7088-4433-977d-8ed20a77b684 Environmental → Air → Indoor EF 3.1 kg 2
0cebca22-7151-452c-9d11-ef7c76091485 Environmental → Air → Long-term EF 3.1 kg 0
4ebbe221-705b-4891-a961-c5946019d648 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
cec0851a-b0ae-4c8f-b076-333e9a78ec78 Environmental → Air → Unknown EF 3.1 kg 2
3295a5d6-6ece-4565-b3aa-622bf92f993c Environmental → Ground → Agricultural EF 3.1 kg 2
2bc028dc-f849-4c03-8ec0-3612d7417535 Environmental → Ground → Non-agricultural EF 3.1 kg 2
64583456-7965-4985-8c37-b9f003986700 Environmental → Ground → Unknown EF 3.1 kg 2
d987932c-2ed0-425d-815c-a24fa2b64d8b Environmental → Water → Long-term EF 3.1 kg 0
8c72d3fb-19ba-42c9-8f40-54d80554ae66 Environmental → Water → Ocean EF 3.1 kg 2
c1a4c0da-1fc8-40cc-bc15-ef4ef3ad79cb Environmental → Water → Surface water EF 3.1 kg 2
8f8e9c42-876b-4c8b-8341-1f292b90e1a1 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-c652a52d4ae43e36",
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    },
    {
      "@value": "3-Desoxy-17α-ethinyl-19-nortestosterone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "3-Desoxynorlutin",
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    },
    {
      "@value": "ethynylestrenol",
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    },
    {
      "@value": "Exlutena",
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    },
    {
      "@value": "Exluton",
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    },
    {
      "@value": "Exlutona",
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    },
    {
      "@value": "Fysionorm",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "linestrenol",
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    },
    {
      "@value": "MeSH ID: D008234",
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    },
    {
      "@value": "Org 485-50",
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    },
    {
      "@value": "Orgametil",
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      "provenance": {
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    },
    {
      "@value": "orgametril",
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    },
    {
      "@value": "Ovamezzo",
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    },
    {
      "@value": "Ovoresta",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ovoresta M",
      "@language": "en",
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      }
    },
    {
      "@value": "Physiostat",
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        ],
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      }
    },
    {
      "@value": "Δ4-17α-Ethinylestren-17β-ol",
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  "properties": {
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