20beta-Hydroxyprogesterone
PubChem CID: 92747
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| Compound Synonyms | 145-15-3, (20R)-20-Hydroxypregn-4-en-3-one, 20-beta-Progerol, 20beta-Dihydroprogesterone, Progesterol-20-beta, Pregn-4-en-3-one, 20-hydroxy-, (20R)-, 20-beta-Dihydroprogesterone, 20-beta-Hydroxyprogesterone, 20.beta.-Progerol, 4-Pregnen-2-beta-ol-3-one, Progesterol-20.beta., 20beta-hydroxy-4-pregnen-3-one, 20beta-Hydroxypregn-4-en-3-one, 20-beta-Hydroxydihydroprogesterone, 20beta-Hydroxyprogesterone, 20-beta-Hydroxypregn-4-en-3-one, 20beta-Hydroxy-pregn-4-en-3-one, EINECS 205-650-0, 67N4JZ6CHL, 20.beta.-Hydroxyprogesterone, Pregn-4-en-3-one, 20-beta-hydroxy-, 20R-hydroxypregn-4-en-3-one, CHEBI:36729, 20b-Dihydroprogesterone, 20.beta.-Dihydroprogesterone, CHEMBL2112756, Pregn-4-en-3-one, 20-hydroxy-, (20-R)-, DTXSID001314014, PROGESTERONE IMPURITY C [EP IMPURITY], PROGESTERONE IMPURITY C (EP IMPURITY), 20beta-Progerol, (20R)-20-Hydroxypregn-4-en-3-one, Progesterone Imp. C (EP), 20(R)-Hydroxy Progesterone, Progesterone Impurity C, Progesterol-20beta, (20R)-20-hydroxy-pregn-4-en-3-one, Standard for chromatography, UNII-67N4JZ6CHL, 20I(2)-Hydroxyprogesterone, 4-Pregnen-20?-ol-3-one, SCHEMBL7219687, pregn-4-en-20(r)-ol-3-one, 4-Pregnen-20.beta.-ol-3-one, DTXCID001743839, 20.beta.-Hydroxydihydroprogesterone, BDBM50407981, LMST02030153, 20-.beta.-Hydroxypregn-4-en-3-one, FP65736, Pregn-4-en-3-one, 20.beta.-hydroxy-, NS00004400, 20-Hydroxypregn-4-en-3-one, (20.beta.)-, Q4630845, Pregn-4-en-3-one, 20-hydroxy-, (20-R)-(9CI), 205-650-0 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2C(CCC3C4CCCC4CCC23)C1 |
| Np Classifier Class | Pregnane steroids |
| Deep Smiles | O=CCC[C@]C=C6)CC[C@@H][C@@H]6CC[C@][C@H]6CC[C@@H]5[C@H]O)C))))))C)))))))))C |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Steroids and steroid derivatives |
| Description | A biologically active 20-alpha-reduced metabolite of progesterone. It is converted from progesterone to 20-alpha-hydroxypregn-4-en-3-one by the 20-alpha-hydroxysteroid dehydrogenase in the corpus luteum and the placenta. -- Pubchem, Progesterone is a C-21 steroid hormone involved in the female menstrual cycle, pregnancy (supports gestation) and embryogenesis of humans and other species. Progesterone belongs to a class of hormones called progestagens, and is the major naturally occurring human progestagen. -- Wikipedia, During implantation and gestation, progesterone appears to decrease the maternal immune response to allow for the acceptance of the pregnancy. Progesterone decreases contractility of the uterine smooth muscle. The fetus metabolizes placental progesterone in the production of adrenal mineralo- and glucosteroids. A drop in progesterone levels is possibly one step that facilitates the onset of labor. In addition progesterone inhibits lactation during pregnancy. The fall in progesterone levels following delivery is one of the triggers for milk production. -- Wikipedia [HMDB] |
| Scaffold Graph Node Level | OC1CCC2C(CCC3C4CCCC4CCC23)C1 |
| Classyfire Subclass | Pregnane steroids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 550.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Uniprot Id | P05093, P06401, Q28590, P06186 |
| Iupac Name | (8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H32O2 |
| Scaffold Graph Node Bond Level | O=C1C=C2CCC3C4CCCC4CCC3C2CC1 |
| Inchi Key | RWBRUCCWZPSBFC-SJOKZOANSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | (20S)-20-Hydroxypregn-4-en-3-one, 20-a-Dihydroprogesterone, 20-alpha-Dihydroprogesterone, 20-alpha-Hydroxydihydroprogesterone, 20-alpha-Hydroxyprogesterone, 20-alpha-Progerol, 20(S)-Hydroxyprogesterone, 20a-Dihydroprogesterone, 20a-Hydroxydihydroprogesterone, 20a-Hydroxypreg-4-en-3-one, 20a-Hydroxypregnen-2-one, 20a-Hydroxyprogesterone, 20a-Progerol, 20alpha-Dihydroprogesterone, 20alpha-Dihydroprognenolone, 20alpha-Hydroxy-4-pregnen-3-one, 20alpha-Hydroxydihydroprogesterone, 20alpha-Hydroxypreg-4-en-3-one, 20alpha-Hydroxypregn-4-en-3-one, 20alpha-Hydroxypregnen-2-one, 20alpha-hydroxyprogesterone, 20alpha-Progerol, 20b-Dihydroprogesterone, 20b-Hydroxy-4-pregnen-3-one, 20b-Hydroxypregn-4-en-3-one, 20beta-Dihydroprogesterone, 20beta-Hydroxy-4-pregnen-3-one, 20beta-Hydroxypregn-4-en-3-one, 20β-dihydroprogesterone, 20β-hydroxy-4-pregnen-3-one, 20β-hydroxypregn-4-en-3-one, Dihydrogesterone, dihydroxyprogesterone, Progesterol-20-alpha, Progesterol-20a, 20 beta hydroxy -4-pregnen-3-one |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)C=C(C)C, CO |
| Compound Name | 20beta-Hydroxyprogesterone |
| Exact Mass | 316.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 316.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=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/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1 |
| Smiles | C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Steroids |
- 1. Outgoing r'ship
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