Spirost-5-en-3-ol
PubChem CID: 234096
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| Compound Synonyms | Spirost-5-en-3-ol, Nitogenin, 512-06-1, Neodiosgenin, NSC33396, 22.alpha.-Spirost-5-en-3.beta.-ol, 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol, (20alpha,22r,25s)-Spirosta-5-ene-3beta-ol, Spirost-5-en-3.beta.-ol, (25R)-, Spirost-5-en-3-ol #, 25D-Spirost-5-en-3beta-ol, 25D-spirost-5-en-3.beta.-ol, (25R)-Spirost-5-en-3.beta.-ol, Spirost-5-en-3-ol, (3.beta.,25R)-, Epidiosgenin_71.9%, Oprea1_211630, Spirost-5-en-3-ol,25R)-, SCHEMBL13632238, WQLVFSAGQJTQCK-UHFFFAOYSA-N, Spiro(8H-naphth(2',1':4,5)-indeno(2,1-b)furan-8,2'-(2H)-pyran)-2-ol, 1,2,3,3',4,4',4a,4b,5,5',6,6',6a,6b,7,9a,10,10a,10b,11-eicosahydro-4a,5',6a,7-tetramethyl-, Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyran], spirost-5-en-3-ol deriv., BBL009936, NSC226132, STK801352, AKOS005612978, SY015253, VS-02258, 5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0(2),?.0?,?.0(1)(3),(1)?]icosan]-18'-en-16'-ol, Spiro[8H-naphth[2',5]-indeno[2,1-b]furan-8,2'-[2H]-pyran]-2-ol, 1,2,3,3',4,4',4a,4b,5,5',6,6',6a,6b,7,9a,10,10a,10b,11-eicosahydro-4a,5',6a,7-tetramethyl- |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Description | Diosgenin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Diosgenin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Diosgenin can be found in a number of food items such as carrot, wild carrot, yam, and bitter gourd, which makes diosgenin a potential biomarker for the consumption of these food products. Diosgenin, a phytosteroid sapogenin, is the product of hydrolysis by acids, strong bases, or enzymes of saponins, extracted from the tubers of Dioscorea wild yam, such as the Kokoro. The sugar-free (aglycone) product of such hydrolysis, diosgenin is used for the commercial synthesis of cortisone, pregnenolone, progesterone, and other steroid products . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 746.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 5.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Triterpenoids |
| Molecular Formula | C27H42O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WQLVFSAGQJTQCK-UHFFFAOYSA-N |
| Fcsp3 | 0.925925925925926 |
| Rotatable Bond Count | 0.0 |
| Synonyms | (25R)-Spirost-5-en-3&beta, -ol, (25R)-Spirost-5-en-3b-ol, «, delta», 22&alpha, -Spirost-5-en-3&beta, -ol, 25d-Spirost-5-en-3b-ol, 5,20a,22a,25D-spirosten-3&beta, -ol, 5,20alpha,22alpha,25D-Spirosten-3 beta-ol, Dioscorea sapogenin, Diosgenin, Nitogenin, Spirost-5-en-3-ol, Spirost-5-en-3-ol deriv., Spirost-5-en-3-ol, (3&beta, ,25R)-, Spirost-5-en-3-ol, (3b,25R)-, Spirost-5-en-3&alpha, -Spirost-5-en-3&beta, -ol, Spirost-5-en-3&beta, -ol, (25R)-, Spirost-5-en-3b-ol, (25R)-, Neodiosgenin, Yamogenin |
| Compound Name | Spirost-5-en-3-ol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 414.313 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 414.313 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 414.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -5.982806000000002 |
| Inchi | InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3 |
| Smiles | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all