Norethynodrel (USAN:USP)
PubChem CID: 6231
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| Compound Synonyms | norethynodrel, Noretynodrel, 68-23-5, Norethinodrel, Enidrel, Lynestrol, 19-Norethynodrel, SC-4642, Norethinynodrel, Norethynodral, Noretinodrel, NSC-15432, 17-Ethinyl-5(10)-estraeneolone, Noretynodrel [INN], Noretynodrelum [INN-Latin], CCRIS 486, HSDB 2951, 17alpha-Ethinyl-5,10-estrenolone, Norethynodrel [USAN:USP], 19-Nor-ethinyl-5,10-testosterone, EINECS 200-682-1, 17-alpha-Ethinyl-5,10-estrenolone, NSC 15432, CB 8023, BRN 2389771, Noretynodrel (INN), MLS000069824, DTXSID3021069, Norethynodrel (USAN), 88181ACA0M, 17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-20-yn-3-one, 17alpha-Ethynyl-5(10)-estren-17-ol-3-one, 17alpha-Ethinyl-5(10)estraen-17beta-ol-3-one, NORETHYNODREL [MI], 17alpha-Ethynyl-estr-5(10)-en-3-on-17beta-ol, 19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-, (17alpha)-, 17-alpha-Ethynyl-17-hydroxyestr-5(10)-en-3-one, NORETHYNODREL [HSDB], NORETHYNODREL [USAN], 17alpha-Ethinyl-delta(sup)-5,10-19-nortestosterone, 17alpha-Ethynyl-17beta-hydroxyestr-5(10)-en-3-one, NORETHYNODREL [VANDF], NORETYNODREL [MART.], Estr-5(10)-en-3-one, 17alpha-ethynyl-17-hydroxy-, DTXCID60563, NORETYNODREL [WHO-DD], 17-alpha-Ethinyl-delta(super)-5,10-19-nortestosterone, (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one, 17-Hydroxy(17alpha)-19-norpregn-5(10)-en-20-yn-3-one, 17alpha-Ethynyl-19-nor-5(10)-androsten-17beta-ol-3-one, 17-alpha-Ethynyl-19-nor-5(10)-androsten-17-beta-ol-3-one, 19-Nor-17alpha-pregn-5(10)-en-20-yn-3-one, 17-hydroxy-, CHEBI:34895, 17alpha-Ethinyl-17beta-hydroxy-delta(sup 5(10))-estren-3-one, 17alpha-Ethinyl-19-nor-delta-5(10)-androstene-17beta-ol-3one, 17alpha-Ethynyl-17beta-hydroxy-3-oxo-delta(sup 5(10))-estrene, 17alpha-Ethynyl-17beta-hydroxy-delta(sup 5(10))-estren-3-one, 19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-, (17.alpha.)-, NORETHYNODREL [ORANGE BOOK], NSC15432, NORETHYNODREL [USP IMPURITY], ENOVID COMPONENT NORETHYNODREL, 13-Methyl-17-ethynyl-17-hydroxy-1,2,3,4,6,7,8,9,11,12,13,14,16,17-tetradecahydro-15H-cyclopenta(a)-phenanthrene-3-one, SMR000058915, 19-Nor-17-alpha-pregn-5(10)-en-20-yn-3-one, 17-hydroxy-, Norethynodrel (>90%), NORETHISTERONE IMPURITY D [EP IMPURITY], Norethynodrel (USAN:USP), Noretynodrelum (INN-Latin), NORETYNODREL (MART.), (17beta-ethynyl-17-hydroxyestr-5(10)-en-3-one, (17beta)-17-ethynyl-17-hydroxyestr-5(10)-en-3-one, Noretinodrel [DCIT], Noretynodrelum, NORETHYNODREL (USP IMPURITY), (1R,3aS,3bR,9bS,11aS)-1-ethynyl-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one, 13-METHYL-17-ETHYNYL-17-HYDROXY-1,2,3,4,6,7,8,9,11,12,13,14,16,17-TETRADECAHYDRO-15H-CYCLOPENTA(A)PHENANTHREN-3-ONE, NORETHISTERONE IMPURITY D (EP IMPURITY), Norethynodrel [Progestins], 17-Hydroxy-19-nor-17.alpha.-pregn-5(10)-en-20-yn-3-one, UNII-88181ACA0M, 17-alpha-Ethynyl-5(10)-estren-17-ol-3-one, CAS-68-23-5, NCGC00016304-01, (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta(a)phenanthren-3-one, Prestwick_883, 17-alpha-Ethynyl-estr-5(10)-en-3-on-17-beta-ol, 17-beta-Hydroxy-17-alpha-ethinyl-5(10)-estren-3-one, (17-alpha)-17-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one, 17-alpha-Ethinyl-17-beta-hydroxy-delta(sup 5(10))-estren-3-one, 17-alpha-Ethynyl-17-beta-hydroxy-3-oxo-delta(sup 5(10))-estrene, 17-alpha-Ethynyl-17-beta-hydroxy-delta(sup. 5(10))-estren-3-one, Opera_ID_1052, Prestwick0_000024, Prestwick1_000024, Prestwick2_000024, Prestwick3_000024, 17-.alpha.-Ethynyl-17-hydroxyestr-5(10)-en-3-one, 17.alpha.-Ethinyl-.DELTA.5(10)-19-nortestosterone, 17-.alpha.-Ethinyl-.DELTA.5(10)-19-nortestosterone, 17.alpha.-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one, 5(10)-Estren-3-one, 17alpha-ethynyl-17beta-hydroxy-, 17.alpha.-Ethinyl-.delta.(sup)-5,10-19-nortestosterone, CHEMBL1387, SCHEMBL37838, BSPBio_000087, 17-.alpha.-Ethynyl-17-.beta.-hydroxy-5(10)-estren-3-one, 17-.beta.-Hydroxy-17-.alpha.-ethinyl-5(10)-estren-3-one, BIDD:ER0192, SPBio_002008, (17-.alpha.)-17-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one, 17-.alpha.-Ethynyl-17-.beta.-hydroxy-.DELTA.5(10)-estren-3-one, 17.alpha.-Ethinyl-17.beta.-hydroxy-.DELTA.5(10)-estren-3-one, 17.alpha.-Ethynyl-17.beta.-hydroxy-.DELTA.5(10)-estren-3-one, 17.alpha.-Ethynyl-17.beta.-hydroxy-3-oxo-.DELTA.5(10)-estrene, BPBio1_000097, 17-Ethynyl-17-hydroxyestr-.DELTA.5(10)-en-3-one, (17.alpha.,17.beta.)-, HMS1568E09, HMS2095E09, HMS2232J10, HMS3712E09, HY-B1341, Tox21_110359, BDBM50410507, AKOS026749810, CCG-220024, DB09371, FN26448, NORETHYNODREL COMPONENT OF ENOVID, NCGC00179666-01, 17-ALPHA-ETHINYLS-5,10-ESTRENOLONE, CS-0013090, NS00006110, D05207, G89723, WLN: L E5 B666OV MUTJ E1 F1UU1 QQ, EN300-7481217, SR-01000721945, Q5659069, SR-01000721945-2, BRD-K80334323-001-03-5, Estr-5(10)-en-3-one,17.alpha.-ethynyl-17-hydroxy-, 17-ALPHA-ETHYNYL-17-HYDROXY-5(10)-ESTREN-3-ONE, 17-ALPHA-ETHYNYLESTR-5(10)-EN-17-BETA-OL-3-ONE, 17-hydroxy-19-nor-17alpha-pregn-5(10)en-20-yn-3-one, 17-Hydroxy(17-alpha)-19-norpregn-5(10)-en-20-yn-3-one, 17-Hydroxy-19-nor-17-alpha-pregn-5(10)-en-20-yn-3-one, 17-ALPHA-ETHYNYL-17-BETA-HYDROXYESTER-5(10)-EN-3-ONE, 17-ALPHA-ETHYNYL-19-NOR-S(10)-ANDROSTEN-17-BETA-OL-3-ONE, 19-Nor-17alpha-pregn-5(10)-en-20-yn-3-one, 17-hydroxy-(8CI), 13-METHYL-17-ETHYNYL-17-HYDROXY-1,2,3,4,6,7,8,9,11,12,1 3,14,16,17-TETRADECAHYDRO-15H-CYCLOPENTA, 13-Methyl-17-ethynyl-17-hydroxy-1,2,3,4,6,7,8,9,11,12,13,14,16 ,17-tetradecahydro-15H-cyclopenta[a]phenanthren-3-one, 17-Hydroxy-19-nor- 17?-pregn-5(10)-en-20-yn-3-one, (17?)-17-hydroxy-19-norpregn-5(10)-en-20- yn-3-one, 200-682-1 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 606.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P15207, Q16637, P10636, Q9UIF8, P22309, Q9NUW8, Q9Y6L6, Q9NPD5, n.a., Q03431, P06401, Q28590, P06186, P0DTD1, P10275 |
| Iupac Name | (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one |
| Prediction Hob | 1.0 |
| Target Id | NPT93, NPT51 |
| Xlogp | 2.1 |
| Molecular Formula | C20H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ICTXHFFSOAJUMG-SLHNCBLASA-N |
| Fcsp3 | 0.75 |
| Logs | -4.397 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.16 |
| Compound Name | Norethynodrel (USAN:USP) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 298.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0195412 |
| Inchi | InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1 |
| Smiles | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Abelia Chinensis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Actinidia Chinensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Aesculus Chinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Albizia Chinensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Albizzia Chinensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Alpinia Chinensis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Anthocephalus Chinensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Aralia Chinensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Artemisia Chinensis (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Arundina Chinensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Astilbe Chinensis (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Atractylodes Japonica (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Aucuba Chinensis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Belamcanda Chinensis (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Blumea Chinensis (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Boerhavia Chinensis (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Breonia Chinensis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Coptis Chinensis (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Cryptocarya Chinensis (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Cuscuta Chinensis (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Desmos Chinensis (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Dianthus Chinensis (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Dicliptera Chinensis (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Eremurus Chinensis (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Fraxinus Chinensis (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Hydrangea Chinensis (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Impatiens Chinensis (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Inula Britannica (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Iris Lactea (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Ixeris Chinensis (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Juniperus Chinensis (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Klaseopsis Chinensis (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Listea Chinensis (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Litchi Chinensis (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Lobelia Chinensis (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Matsumurella Chinensis (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Odontosoria Chinensis (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Osbeckia Chinensis (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Paederia Chinensis (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Persicaria Chinensis (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Pistacia Chinensis (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Polygala Chinensis (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Potentilla Chinensis (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Pothos Chinensis (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Pulsatilla Chinensis (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Rhus Chinensis (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Rosa Chinensis (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Salacia Chinensis (Plant) Rel Props:Reference: - 56. Outgoing r'ship
FOUND_INto/from Saururus Chinensis (Plant) Rel Props:Reference: - 57. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Reference: - 58. Outgoing r'ship
FOUND_INto/from Scolopia Chinensis (Plant) Rel Props:Reference: - 59. Outgoing r'ship
FOUND_INto/from Senecio Chinensis (Plant) Rel Props:Reference: - 60. Outgoing r'ship
FOUND_INto/from Simmondsia Chinensis (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Siphonostegia Chinensis (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Solidago Chinensis (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Sphenomeris Chinensis (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Stachys Chinensis (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Stauntonia Chinensis (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Swertia Chinensis (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Symplocos Chinensis (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Tamarix Chinensis (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Taxillus Chinensis (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Taxus Chinensis (Plant) Rel Props:Reference: - 71. Outgoing r'ship
FOUND_INto/from Thermopsis Chinensis (Plant) Rel Props:Reference: - 72. Outgoing r'ship
FOUND_INto/from Trollius Chinensis (Plant) Rel Props:Reference: - 73. Outgoing r'ship
FOUND_INto/from Tsuga Chinensis (Plant) Rel Props:Reference: - 74. Outgoing r'ship
FOUND_INto/from Tupistra Chinensis (Plant) Rel Props:Reference: - 75. Outgoing r'ship
FOUND_INto/from Wedelia Chinensis (Plant) Rel Props:Reference: