4,10,13-trimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem CID: 625278
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Gramisterol, 1176-52-9, BAA17652 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | RSMKYRDCCSNYFM-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Substituent Name | Ergosterol-skeleton, 3-beta-hydroxy-delta-7-steroid, 3-beta-hydroxysteroid, Hydroxysteroid, 3-hydroxysteroid, 3-hydroxy-delta-7-steroid, Delta-7-steroid, Cyclic alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic homopolycyclic compound |
| Synonyms | (3beta,4alpha,5alpha)- 4-methyl-Ergosta-7,24(28)-dien-3-ol, 24-Methylene lophenol, 24-methylene-Lophenol, 24-Methylenelophenol, 4-a-Methyl-5-a-ergosta-7,24-dien-3-b-ol, 4-alpha-Methyl-5-alpha-ergosta-7,24-dien-3-beta-ol, 4-α-methyl-5-α-ergosta-7,24-dien-3-β-ol, 4.alpha-Methylepisterol, 4alpha.-Methyl-24-methylene-5alpha-cholest-7-en-3beta-ol, 4alpha.-methyl-5alpha-Ergosta-7,24(28)-dien-3beta.-ol, Gramisterin, Gramisterol |
| Heavy Atom Count | 30.0 |
| Compound Name | 4,10,13-trimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Kingdom | Organic compounds |
| Description | Constituent of sugar, potatoes, grapefruit, peas (Pisum sativum) 24-Methylenelophenol is involved in the biosynthesis of steroids. 24-Methylenelophenol is converted from 4alpha-Methylfecosterol by cholestenol delta-isomerase [EC:5.3.3.5]. 24-Methylenelophenol is converted to 24-Ethylidene lophenol by 24-methylenesterol C-methyltransferase [EC:2.1.1.143]. 24-Methylenelophenol can also be converted to episterol. 24-Methylenelophenol is found in many foods, some of which are rowanberry, chayote, citrus, and green bell pepper. |
| Exact Mass | 412.371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 412.371 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 688.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 412.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,10,13-trimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Steroids and steroid derivatives |
| Inchi | InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18,20-21,23-27,30H,3,8-9,11-17H2,1-2,4-7H3 |
| Smiles | CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CCC(=C)C(C)C)C)C)O |
| Xlogp | 8.8 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Ergostane steroids |
| Molecular Formula | C29H48O |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Corylus Avellana (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Oenothera Biennis (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all