Prasterone
PubChem CID: 5881
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| Compound Synonyms | Dehydroepiandrosterone, DHEA, PRASTERONE, 53-43-0, Dehydroisoandrosterone, Androstenolone, trans-Dehydroandrosterone, Diandrone, Psicosterone, Diandron, 3beta-hydroxyandrost-5-en-17-one, Prestara, 17-Hormoforin, 17-Chetovis, Andrestenol, Intrarosa, Prasterona, 5-Dehydroepiandrosterone, Siscelar plus, 3-beta-Hydroxy-5-androsten-17-one, Dehydro-epi-androsterone, 5,6-Didehydroisoandrosterone, Prasteronum, Vaginorm, (+)-Dehydroisoandrosterone, 5,6-Dehydroisoandrosterone, Caswell No. 051F, dehydroepiandrosterone (dhea), Epiandrosterone, 5-dehydro-, 5,6-Dehydroisoandrostorone, Biolaif, CCRIS 3277, 3beta-hydroxy-5-androsten-17-one, (3-beta)-3-Hydroxyandrost-5-en-17-one, EM-760, GL 701, Astenile, Deandros, 5-Androsten-3beta-ol-17-one, EPA Pesticide Chemical Code 126510, Androst-5-en-17-one, 3-hydroxy-, (3beta)-, Prasteronum [INN-Latin], Prasterona [INN-Spanish], DEHYDROISOANDOSTERONE, NSC 9896, NSC-9896, EINECS 200-175-5, dehydroepiandosterone, UNII-459AG36T1B, BRN 2058110, Androst-5-en-17-one, 3-beta-hydroxy-, DTXSID4020379, CHEBI:28689, dehydroepiandrostenedione, NSC9896, 459AG36T1B, 3-beta-hydroxyandrost-5-en-17-one, Androst-5-en-17-one, 3-hydroxy-, (3.beta.)-, Androst-5-en-17-one, 3beta-hydroxy-, (3beta)-3-hydroxyandrost-5-en-17-one, CHEMBL90593, DTXCID40379, (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one, D5-Androsten-3beta-ol-17-one, Androst-5-ene-3beta-ol-17-one, EC 200-175-5, Androst-5-en-17-one, 3-hydroxy-, (3-beta)-, 4-08-00-00994 (Beilstein Handbook Reference), 3beta-Hydroxy-D5-androsten-17-one, Dehydro Epiandrosterone, Prasteronum (INN-Latin), Prasterona (INN-Spanish), PRASTERONE (MART.), PRASTERONE [MART.], (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-3,4,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one, AND, Prasterone [INN], Fidelin, CAS-53-43-0, SMR000059075, Androst-5-en-17-one, 3.beta.-hydroxy-, SR-01000075815, Prasterone [USAN:INN], Dehydro Epiandrosterone (1.0 mg/mL in Acetonitrile), 5-Androsten-3.beta.-ol-17-one, Anastar, Inflabloc, Aslera, Fidelin T, Androst-5-en-17-one, 3-hydroxy-, (3b)-, DHEA, Prasterone, GL701, NCGC00093802-04, NCGC00093802-06, Biolaif (TN), 5 Androsten 3 beta hydroxy 17 one, 5-Androsten-3-beta-hydroxy-17-one, MFCD00003613, 5-dehydro-Epiandrosterone, Prasterone (USAN/INN), trans-de-hydroandrosterone, PRASTERONE [USAN], bmse000665, Androsten-3beta-ol-17-one, PRASTERONE [WHO-DD], BIDD:PXR0080, Lopac0_000368, SCHEMBL24156, MLS001066350, MLS001333231, MLS001333232, MLS001424274, 5-Androsten-3B-ol-17-one, D5-Androsten-3b-ol-17-one, GTPL2370, Androst-5-ene-3b-ol-17-one, PRASTERONE [ORANGE BOOK], 3b-Hydroxyandrost-5-en-17-one, 5-Androsten-3-beta-ol-17-one, BCPE00002, A14AA07, G03XX01, 3b-Hydroxy-D5-androsten-17-one, 3beta-Hyroxyandrost-5-en-17-one, BCPP000260, DEHYDROEPIANDROSTERONE [MI], EL-10, HMS2052P11, HMS2090C04, HMS2232K11, IM 28, trans-Dehydroandrosterone, >=99%, 3-beta-hydroxy-5-androsten-17-on, BCP02453, IPL-1001, 3beta-hydroxy-androst-5-en-17-one, 3beta-Hydroxyandrost-5-ene-17-one, Tox21_111222, Tox21_201996, Tox21_302761, BDBM50223368, CMC_13435, Delta5-androsten-3-beta-ol-17-one, DL-373, GL-701, LMST02020021, PB-007, s2604, DEHYDROEPIANDROSTERONE [VANDF], 3.beta.-Hydroxyandrost-5-en-17-one, 5-Androsten-3beta-ol-17-one, DHEA, AKOS007930299, AKOS015951378, Tox21_111222_1, BCP9000602, CCG-101190, CS-1667, DB01708, FD12003, GS-0906, IP-1001, NC00440, SH-K-04828, NCGC00093802-09, NCGC00256412-01, NCGC00259545-01, (1S,5S,11S,15S,2R,10R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15> ]heptadec-7-en-14-one, (3beta)-3-Hydroxyandrost-5-ene-17-one, AC-28716, HY-14650, NCI60_042215, Prasterone (DHEA, Dehydroepiandrosterone), (3beta)-3-hydroxy-Androst-5-en-17-one, D0044, EU-0100368, NS00000508, Androst-5-en-17-one, 3beta-hydroxy- (8CI), C01227, D 4000, D-0340, D08409, (3alpha,8alpha)-3-hydroxyandrost-5-en-17-one, AB00375810-06, AB00375810_09, Dehydroepiandrosterone (DHEA), 1mg/ml in Methanol, Q408376, SR-01000075815-1, SR-01000075815-4, BRD-K41256143-001-12-7, (3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one, Androst-5-en-17-one, 3-hydroxy-, (3beta)- (9CI), 1A9D2040-240C-427D-ADE4-0CB700B785CB, Prasterone (DHEA, Dehydroepiandrosterone) 1.0 mg/ml in Acetonitrile, (1S,2R,5S,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-one, (3S,8R,10R,13S)-3-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one, 105597-37-3, 200-175-5, Dehydroepiandrosterone, trans-Dehydroandrosterone, Prasterone, 5-Androsten-3beta-ol-17-one, DHEA |
|---|---|
| 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 | CC1CCC2C1CCC1C3CCCCC3CCC21 |
| Np Classifier Class | Androstane steroids |
| Deep Smiles | O[C@H]CC[C@]C=CC[C@@H][C@@H]6CC[C@][C@H]6CCC5=O)))))C))))))))C6))C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Steroids and steroid derivatives |
| Scaffold Graph Node Level | OC1CCC2C1CCC1C3CCCCC3CCC21 |
| Classyfire Subclass | Androstane steroids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 508.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Uniprot Id | O00204, Q9NPD5, Q9Y6L6, P08842, P22680, P05093, P14060, P26439, Q9Y694, P08185, P04278, O35627, Q8TDU6, Q9GRG7, P11413, P56937, Q03164, P02545, n.a., Q01453, Q194T2, P08684, Q96KQ7, P11473, P83916, O94782, P22310, P54855, O75795, P25094, Q9NUW8, Q13148, P37840, P27695, Q9UHC9, Q9Y6A2, P0DTD1, P08236, P10275, Q16236, Q03181, P04792 |
| Iupac Name | (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one |
| Class | Steroids and steroid derivatives |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Androstane steroids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H28O2 |
| Scaffold Graph Node Bond Level | O=C1CCC2C1CCC1C3CCCCC3=CCC21 |
| Inchi Key | FMGSKLZLMKYGDP-USOAJAOKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 3-BETA-HYDROXY-5-androsten-17-one, 3beta-Hydroxyandrost-5-en-17-one, Dehydroisoandrosterone, DHA, DHEA, Intrarosa, Prasterone, Biolaif, 3-b-HYDROXY-5-androsten-17-one, 3-Β-hydroxy-5-androsten-17-one, 3b-Hydroxyandrost-5-en-17-one, 3Β-hydroxyandrost-5-en-17-one, (+)-Dehydroisoandrosterone, (3-beta)-3-Hydroxyandrost-5-en-17-one, (3beta)-3-Hydroxy-androst-5-en-17-one, (3beta,16alpha)-3,16-Dihydroxy-androst-5-en-17-one, 17-Chetovis, 17-Hormoforin, 3-beta-Hydroxyandrost-5-en-17-one, 3b-Hydroxy-D5-androsten-17-one, 3beta-Hydroxy-5-androsten-17-one, 3beta-Hydroxy-androst-5-en-17-one, 3beta-Hydroxy-D5-androsten-17-one, 5,6-Dehydroisoandrosterone, 5,6-Didehydroisoandrosterone, 5-Androsten-3-beta-ol-17-one, 5-Androsten-3b-ol-17-one, 5-Androsten-3beta-ol-17-one, 5-Dehydro-epiandrosterone, 5-Dehydroepiandrosterone, Andrestenol, Androst-5-ene-3b-ol-17-one, Androst-5-ene-3beta-ol-17-one, Androsten-3beta-ol-17-one, Androstenolone, Astenile, D5-Androsten-3b-ol-17-one, D5-Androsten-3beta-ol-17-one, Deandros, Dehydro-epi-androsterone, Diandron, Diandrone, Hydroxyandrostenone, Prasterona, Prasteronum, Prestara, Psicosterone, trans-Dehydroandrosterone, Prasterone, 3 alpha-isomer, 5 Androsten 3 beta hydroxy 17 one, 5-Androsten-3-beta-hydroxy-17-one, 5 Androsten 3 ol 17 one, Prasterone, 3 alpha isomer, 5-Androsten-3-ol-17-one, EM-760Dehydroandrosterone, prasterone |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O, CC=C(C)C, CO |
| Compound Name | Prasterone |
| Kingdom | Organic compounds |
| Exact Mass | 288.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 288.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1 |
| Smiles | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Androgens and derivatives |
| Np Classifier Superclass | Steroids |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643935