Fucostanol
PubChem CID: 6743
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| Compound Synonyms | Stigmastan-3-ol, Fucostanol, 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, 24 alpha-ethyl-5 alpha-cholestan-3 beta-ol, SCHEMBL12820619, LGJMUZUPVCAVPU-UHFFFAOYSA-N, NS00002846 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Description | Constituent of pot marigold (Calendula officinalis), sweet corn (Zea mays) and Carolina allspice (Calycanthus floridus). Stigmastanol is found in many foods, some of which are corn, fats and oils, pepper (spice), and soy bean. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 583.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Prediction Hob | 1.0 |
| Class | Steroids and steroid derivatives |
| Xlogp | 10.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Stigmastanes and derivatives |
| Molecular Formula | C29H52O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LGJMUZUPVCAVPU-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.073 |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Logd | 6.455 |
| Synonyms | (3b)-Stigmastan-3-ol, (3beta,5alpha)-Stigmastan-3-ol, (3beta)-Stigmastan-3-ol, 24-alpha-ethyl-5 alpha-cholestan-3 beta-ol, 24-alpha-ethyl-5 beta-cholestan-3 alpha-ol, 24-alpha-Ethylcholestanol, 24a-Ethylcholestanol, 24alpha-Ethyl5-alpha-cholestan-3-beta-ol, 24alpha-Ethylcholestanol, 4a-Methyl-5a,14a-lumistan-3b-ol, 4a-Methylcampestanol, 5,6-Dihydro-b-sitosterol, 5,6-Dihydro-beta-sitosterol, 5a-Stigmastan-3b-ol, 5alpha-Stigmastan-3beta-ol, b-Sitostanol, Beta-dihydro-sitosterol, Beta-sitostanol, Dihydro-b-sitosterol, Dihydro-beta-sitosterol, Dihydrositosterin, Dihydrositosterol, Fucostanol, Sitostanol, Spinastanol, Stigmastan-3-ol, Stigmastan-3beta-ol, Stigmastane-3-beta-ol, Stigmastanol, 24α-ethylcholestanol, 24 alpha-Ethyl-5 alpha-cholestan-3 beta-ol, 24 alpha-Ethyl-5 beta-cholestan-3 alpha-ol, beta-Sitostanol, Stigmastanol, (3beta,5beta,24S)-isomer |
| Compound Name | Fucostanol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 416.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 416.402 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 416.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Esol | -7.269350800000001 |
| Inchi | InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3 |
| Smiles | CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Stigmastanes and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Ananas Comosus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Coffea Canephora (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Moringa Oleifera (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Rhaponticum Carthamoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all