Molecular Details

DICL_CP_0332612 - (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0332612

PubChem CID

5994

Molecular Formula

C₂₁H₃₀O₂

Molecular Weight

314.469 g/mol

Synonyms/Alias

[progesterone; 57-83-0; Pregn-4-ene-3;20-dione; Agolutin; Cri; 4-Pregnene-3;20-dione; Prometrium; Utrogestan; Progestin; Luteol; Gestormone; Glanducorpin; Pregnenedione; Progesterol; Progesteronum; Pr...[progesterone; 57-83-0; Pregn-4-ene-3;20-dione; Agolutin; Cri; 4-Pregnene-3;20-dione; Prometrium; Utrogestan; Progestin; Luteol; Gestormone; Glanducorpin; Pregnenedione; Progesterol; Progesteronum; Progestone; Progestron; Syngesterone; Corlutin; Hormoflaveine; Lutociclina; Methylpreg; Progestasert; Progestosol; Progestronol; Syngestrets; Corporin; Cyclogest; Flavolutan; Fologenon; Gestone; Gestron; Gynlutin; Gynolutone; Hormoluton; Lingusorbs; Lucorteum; Luteodyn; Luteogan; Luteopur; Luteosan; Luteostab; Luteovis; Lutidon; Lutocylin; Lutoform; Membrettes; Nalutron; Piaponon; Primolut; Progekan; Prolets; Protormone; Syntolutan; Lutren; Lucorteum Sol; Bio-luton; Lutocyclin M; Luteocrin normale; Corlutina; Corluvite; Gesterol; Luteinique; Lutocyclin; Lutromone; Prochieve; Prolidon; Proluton; Prolutone; Lutogyl; Lutex; Lutin; 17alpha-Progesterone; Lipo-Lutin; Synovex S; Gynoluton; Projestaject; Percutacrine Luteinique; Gesterol 100; Akrolutin; Gesterol 50; Pregnene-3;20-dione; Cyclogesterin; Endometrin; Progesteron; Prolutin; (S)-Progesterone; 3;20-Pregnene-4; Gelbkoerperhormon; Colprosterone; Progestogel; Progeston; Cri progesterone gel; Gestiron; Lugesteron; Progestol; Vitarrine; Luteol (VAN); NSC-9704; Lutocuclin M; (S)-4-Pregnene-3;20-dione; Delta(4)-pregnene-3;20-dione; (S)-Pregn-4-en-3;20-dione; .beta.-Progesterone; delta(sup 4)-Pregnene-3;20-dione; Percutacrine; Progesterona; Progeffik; Utrogest; Luteum; Progesteronum [INN-Latin]; Progesterona [INN-Spanish]; CCRIS 533; HSDB 3389; AI3-51682; Prontogest; Lipolutin; Lutogynon; Estima; Progesterone; micronized; 17.alpha.-Progesterone; 6alpha-Methylpregn-4-en-17alpha-ol-3;20-dione; Progesterone [Progestins]; NSC 9704; Prometrium (TN); EINECS 200-350-6; Pregn-4-en-3;20-dione; UNII-4G7DS2Q64Y; NSC 64377; NSC-64377; Cri (TN); Pregn-4-ene-3;20-dione; 17alpha-hydroxy-6alpha-methyl-; MILPROSA; DTXSID3022370; CHEBI:17026; .delta.4-Pregnene-3;20-dione; 17alpha-Hydroxy-6alpha-methylpregn-4-ene-3;20-dione; Progesterone (Standard); delta(Sup4)-pregnene-3;20-dione; component of Cyclogesterin; U 3672; 4-Pregnen-3;20-dione; .delta.(sup4)-Pregnene-3;20-dione; CHEMBL103; D4-Pregnene-3;20-dione; MLS000028517; 4G7DS2Q64Y; DTXCID902370; NSC9704; EC 200-350-6; (8S;9S;10R;13S;14S;17S)-17-Acetyl-10;13-dimethyl-1;2;6;7;8;9;11;12;14;15;16;17-dodecahydrocyclopenta[a]phenanthren-3-one; Progesterone [USP:INN:BAN:JAN]; BIJUVA COMPONENT PROGESTERONE; NSC64377; MFCD00003658; NCGC00015785-04; SMR000058345; Progesteronum (INN-Latin); Progesterona (INN-Spanish); PROGESTERONE (MART.); PROGESTERONE [MART.]; (8S;9S;10R;13S;14S;17S)-17-acetyl-10;13-dimethyl-1;2;6;7;8;9;10;11;12;13;14;15;16;17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one; PROGESTERONE (USP-RS); PROGESTERONE [USP-RS]; 6.alpha.-Methylpregn-4-en-17.alpha.-ol-3;20-dione; 17.alpha.-Hydroxy-6.alpha.-methylpregn-4-ene-3;20-dione; Progestan; PROGESTERONE (EP MONOGRAPH); Progesterone (USP:INN:BAN:JAN); PROGESTERONE [EP MONOGRAPH]; Pregn-4-ene-3;20-dione; 17.alpha.-hydroxy-6.alpha.-methyl-; PROGESTERONE (USP MONOGRAPH); PROGESTERONE [USP MONOGRAPH]; SMR000653542; Natural Progesterone; Progesterone (Prometrium); WLN: L E5 B666 OV MUTJ A1 E1 FV1; SR-01000000088; SR-01000076054; Pregn-4-ene-3; 17.alpha.-hydroxy-6.alpha.-methyl-; BHR-100; Duraprogen; Progestrel; Lutinus; Gelbkorperhormon; Progesto-Life; beta-Progesterone; 1dbb; 17a-Progesterone; Progesterone Combo; CAS-57-83-0; Progesterone1538; racemic progesterone; Prestwick_411; Progesterone Phenolic; CIDR; mpp22; 2aa6; 4bb2; Opera_ID_292; P25 Progesterone Cream; P50 Progesterone Cream; P75 Progesterone Cream; Progesterone; >=99%; Prestwick0_000477; Prestwick1_000477; Prestwick2_000477; Prestwick3_000477; Spectrum5_002053; PROGESTERONE [MI]; Cyclogesterin (Salt/Mix); PROGESTERONE [INN]; PROGESTERONE [JAN]; bmse000482; Epitope ID:116051; PROGESTERONE [HSDB]; SCHEMBL7671; Ferring Pharmaceuticals Inc.; P75 Lav Progesterone Cream; PROGESTERONE [VANDF]; BIDD:PXR0094; Lopac0_000895; BSPBio_000614; MLS000758277; MLS001074187; MLS001423982; MLS002222367; BIDD:ER0547; P0130_SIGMA; PROGESTERONE [WHO-DD]; PROGESTERONE [WHO-IP]; Advanced Formula Progesto-Life; SPBio_002553; .delta.-Pregnene-3;20-dione; BDBM8903; BPBio1_000676; EAZI-BREED CIDR SheepInsert; GTPL2377; Hydroxyprogesterone Caproic acid; EAZI-BREED CIDR CattleInsert; EAZI-BREED CIDR Sheep Insert; HY-N0437R; Progesterone (JP17/USP/INN); BHR-310; EAZI-BREED CIDR Cattle Insert; ETI-411; G03DA04; PROGESTERONE [GREEN BOOK]; 1a28; 1h60; HMS1569O16; HMS2051O05; HMS2090J07; HMS2096O16; HMS2230F23; HMS2233P11; HMS3262D12; HMS3713O16; Pregnene; 3;20-dione-delta^4-; PROGESTERONE [ORANGE BOOK]; BCP22000; HY-N0437; Tox21_113157; Tox21_201792; Tox21_300307; Tox21_500895; AC-700; CMC_13406; LMST02030159; Progesterone; 1mg/ml in Acetonitrile; PROGESTERONUM [WHO-IP LATIN]; s1705; AKOS015894908; Progesterone; 4-Pregnene-3;20-dione; CCG-100766; CS-1937; DB00396; DR-2011; FD12045; LP00895; NC00016; PROGESTERONE COMPONENT OF BIJUVA; SDCCGSBI-0050870.P002; Progesterone 1.0 mg/ml in Acetonitrile; NCGC00022185-03; NCGC00022185-04; NCGC00022185-05; NCGC00022185-06; NCGC00022185-07; NCGC00022185-08; NCGC00022185-09; NCGC00022185-10; NCGC00022185-11; NCGC00022185-12; NCGC00022185-14; NCGC00022185-21; NCGC00090798-01; NCGC00090798-02; NCGC00254120-01; NCGC00259341-01; NCGC00261580-01; (1S;10S;11S;14S;15S;2R)-14-acetyl-2;15-dimethyl-5-oxotetracyclo[8.7.0.0<2;7>.0 <11;15>]heptadec-6-ene; (8S;9S;10R;13S;14S;17S)-17-Acetyl-10;13-dimethyl-6;7;8;9;10;11;12;13;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one; AS-12660; CPD000058345; NCI60_042166; FE-999913; CS-0694805; EU-0100895; NS00010899; P0478; (14beta;17alpha)-pregn-4-ene-3;20-dione; Progesterone; meets USP testing specifications; Progesterone; Vetec(TM) reagent grade; 98%; C00410; D00066; P 0130; Q26963; S00293; Progesterone; VETRANAL(TM); analytical standard; Q-201624; SR-01000000088-5; SR-01000000088-6; SR-01000076054-1; SR-01000076054-4; BRD-K64994968-001-03-6; 32104FB6-BF81-4F6E-83C2-024DEEAEB272; Z1501485353; P75 Maxx with Retinol All Natural Progesterone 75 Cream; Progesterone; British Pharmacopoeia (BP) Reference Standard; Progesterone; powder; BioReagent; suitable for cell culture; Progesterone; European Pharmacopoeia (EP) Reference Standard; Progesterone; gamma-irradiated; BioXtra; suitable for cell culture; Progesterone; United States Pharmacopeia (USP) Reference Standard; Progesterone-Water Soluble; powder; BioReagent; suitable for cell culture; Progesterone for peak identification; European Pharmacopoeia (EP) Reference Standard; Progesterone for system suitability; European Pharmacopoeia (EP) Reference Standard; Progesterone; Pharmaceutical Secondary Standard; Certified Reference Material; (1S;2R;10S;11S;14S;15S)-14-acetyl-2;15-dimethyltetracyclo[8.7.0.0;{2;7}.0;{11;15}]heptadec-6-en-5-one; 137940-28-4; 753497-20-0]

InChI Key

RJKFOVLPORLFTN-LEKSSAKUSA-N

InChI

InChI=1S/C21H30O2/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/h12,16-19...

IUPAC Name

(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

CAS Number

57-83-0

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

53 56 0 0 0 0 0 0 0 0999 V2000
5.7195 0.0613 0.5213 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4408 0.4631 1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3570 0.327...

Download SDF File (4515 bytes)

Experimental Data

Activity Data

Target Ion Channel

ATP sensitive inward rectifier potassium channel 1

Uniprot Accession Number

O88335

Function

Inhibitor

Species

Mus musculus (Mouse)

IC₅₀

IC₅₀: 300 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.3

Holding Potential

−80 to 80 mV mV

Temperature

Not mention

Test Method

Patch-clamping

Test Species

Not specified

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1085/jgp.202112924

URL

N/A (Not available)

PMID

34387656

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

4.7235

Complexity

90.881

TPSA (Å²)

34.14

H-Bond Donors

H-Bond Acceptors

Ring Count

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