pregnenolone

chemical compound

Wikidata entity: Q412158

C₂₁H₃₂O₂ (P274)




Wikimedia Commons category is Pregnenolone



Quantities

P2067mass316.24

P233 canonical SMILES String CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C ???
P373 Commons category String Pregnenolone ???
P703 found in taxon ... Q27615 (Levisticum officinale) Levisticum officinale
P703 found in taxon ... Q145794 (Apiaceae) Apiaceae
P703 found in taxon ... Q1059580 (Locusta migratoria) Locusta migratoria
P703 found in taxon ... Q1156537 (Zanthoxylum ailanthoides) Zanthoxylum ailanthoides
P703 found in taxon ... Q2036623 (Amphimedon compressa) Amphimedon compressa
P703 found in taxon ... Q2152922 (Sarcophyton crassocaule) Sarcophyton crassocaule
P703 found in taxon ... Q1135851 (Botrytis cinerea) Botrytis cinerea
P703 found in taxon ... Q2207714 (Lobophytum laevigatum) Lobophytum laevigatum
P703 found in taxon ... Q2446829 (Sinularia ovispiculata) Sinularia ovispiculata
P703 found in taxon ... Q2518718 (Lobophytum crassum) Lobophytum crassum
P703 found in taxon ... Q2600156 (Sinularia gibberosa) Sinularia gibberosa
P703 found in taxon ... Q3919027 (Mangifera indica) Mangifera indica
P703 found in taxon ... Q4501895 (Confused flour beetle) Confused flour beetle
P703 found in taxon ... Q4539174 (Dictamnus dasycarpus) Dictamnus dasycarpus
P703 found in taxon ... Q4805168 (Ashitaba) Ashitaba
P703 found in taxon ... Q15978631 (Homo sapiens) Homo sapiens
P703 found in taxon ... Q50843047 (Hansenia weberbaueriana) Hansenia weberbaueriana
P703 found in taxon ... Q10397902 (Abedus herberti) Abedus herberti
P703 found in taxon ... Q11174716 (Heracleum rapula) Heracleum rapula
P703 found in taxon ... Q15395876 (Zanthoxylum integrifolium) Zanthoxylum integrifolium
P703 found in taxon ... Q50860080 (Oreocome striata) Oreocome striata
P703 found in taxon ... Q80816928 (Ligusticum officinale) Ligusticum officinale
P703 found in taxon ... Q104247920 (Haliclona compressa) Haliclona compressa
P527 has part(s) ... Q623 (carbon) carbon
P366 has use ... Q12140 (medication) medication
P8224 image of molecular model or crystal lattice model CommonsMedia http://commons.wikimedia.org/wiki/Special:FilePath/Pregnenolona3D.png ???
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C ???
P361 part of ... Q14905654 (cholesterol monooxygenase (side-chain-cleaving) activity) cholesterol monooxygenase (side-chain-cleaving) activity
P3364 stereoisomer of ... Q27166419 (1-[(3S,8R,9R,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone) 1-[(3S,8R,9R,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
P3364 stereoisomer of ... Q105198057 (1-((3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone) 1-((3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
P279 subclass of ... Q76389918 (pregnane steroid) pregnane steroid
P2868 subject has role ... Q3333419 (primary metabolite) primary metabolite

External Ids
P231CAS Registry Number145-13-1
P683ChEBI ID16581
P592ChEMBL IDCHEMBL253363
P661ChemSpider ID8611
P715DrugBank IDDB02789
P8494DSSTOX compound identifierDTXCID9016541
P3117DSSTox substance IDDTXSID1036541
P232EC number205-647-4
P2566ECHA Substance Infocard ID100.005.135
P1417Encyclopædia Britannica Online IDscience/pregnenolone
P646Freebase ID/m/06t2kd
P595Guide to Pharmacology Ligand ID2376
P2057Human Metabolome Database IDHMDB0000253
P234InChIInChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
P235InChIKeyORNBQBCIOKFOEO-QGVNFLHTSA-N
P665KEGG IDD00143
P244Library of Congress authority IDsh97009184
P2063LIPID MAPS IDLMST02030088
P6689MassBank accession IDMSBNK-Fac_Eng_Univ_Tokyo-JP007248
P486MeSH descriptor IDD011284
P672MeSH tree codeD04.210.500.745.745.725
P672MeSH tree codeD06.472.040.585.745
P672MeSH tree codeD06.472.334.851.687.500
P6366Microsoft Academic ID (discontinued)2780193516
P8189National Library of Israel J9U ID987007554024405171
P2115NDF-RT IDN0000188267
P2840NSC number18158
P2840NSC number1616
P2840NSC number757403
P10283OpenAlex IDC2780193516
P4235PatientsLikeMe treatment IDpregnenolone
P3636PDB ligand IDPLO
P638PDB structure ID1Q20
P638PDB structure ID4J6B
P638PDB structure ID4NKW
P11199Probes And Drugs IDPD007639
P662PubChem CID8955
P3417Quora topic IDPregnenolone
P1579Reaxys registry number2059026
P3345RxNorm CUI114052
P5076Römpp online IDRD-16-03997
P4964SPLASHsplash10-05o0-2982000000-90eb349ceb4f7cdf4bf0
P2877SureChEMBL ID129572
P8691SwissLipids IDSLM:000000993
P2892UMLS CUIC0373704
P11089UniChem compound ID594830
P652UNII73R90F7MQ8

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