Solanid-5-en-3-ol
PubChem CID: 522740
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| Compound Synonyms | Isosolanidine, Solanid-5-en-3-ol, Solanid-5-en-3-ol #, Solanidine (not validated), Oprea1_407776, SCHEMBL12530610, CHEBI:180936, JVKYZPBMZPJNAJ-UHFFFAOYSA-N, NS00015439, 10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol |
|---|---|
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | JVKYZPBMZPJNAJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Substituent Name | Steroidal saponin, Solanidane skeleton, 22,23-secosolanidane skeleton, Steroidal alkaloid, 3-beta-hydroxysteroid, 3-beta-hydroxy-delta-5-steroid, Hydroxysteroid, 3-hydroxysteroid, 3-hydroxy-delta-5-steroid, Delta-5-steroid, Alkaloid or derivatives, Indolizidine, N-alkylpyrrolidine, Piperidine, Pyrrolidine, Cyclic alcohol, Tertiary aliphatic amine, Tertiary amine, Secondary alcohol, Azacycle, Organoheterocyclic compound, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Amine, Alcohol, Aliphatic heteropolycyclic compound |
| Synonyms | (3b)-Solanid-5-en-3-ol, (3beta)-solanid-5-en-3-ol, (3β)-solanid-5-en-3-ol, 22R,25S-Solanidanine, 22R,25S-Solanidine, 3-&beta, -Solanid-5-en-3-ol, 3-b-Solanid-5-en-3-ol(9cl), 3-beta-Solanid-5-en-3-ol, 3-beta-Solanid-5-en-3-ol(9cl), Solanid-5-en-3-beta-ol, Solanid-5-en-3-ol, Solanid-5-en-3-ol (acd/name 4.0), Solanid-5-en-3-ol, (3-beta)-, Solanid-5-en-3-ol, (3-beta)- (9CI), Solanid-5-en-3-ol, (3&beta, )-, Solanid-5-en-3-ol, (3beta)-, Solanid-5-en-3-ol, (3beta)- (9CI), Solanid-5-en-3.beta.-ol, Solanid-5-en-3&beta, -ol, Solanid-5-en-3b-ol, Solanid-5-en-3b-ol, 9CI, solanid-5-en-3beta-ol, Solanid-5-en-3beta-ol (8CI), Solanid-5-en-3beta-ol(8CI), Solanid-5-en-3β-ol, Solanidin, Solanidine T, Solatubin, Solatubine |
| Heavy Atom Count | 29.0 |
| Compound Name | Solanid-5-en-3-ol |
| Kingdom | Organic compounds |
| Description | Alkaloid from potato (Solanum tuberosum). Glycosides, (especies Solanines and chaconine) are trace toxic constits. of potato tubers (especies greened tubers), and interbreeding of potatoes with wild strains may increase their concn. or introduce other more toxic, solanidine glycosides Solanidine is a steroidal alkaloid, and its glycosides have been reported to have caused poisoning in man and animals. Solanidine is present in sera of healthy individuals and in amounts dependent on their dietary potato consumption. (PMID: 4007882). Solanidine is found in many foods, some of which are eggplant, yellow bell pepper, alcoholic beverages, and potato. |
| Exact Mass | 397.334 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 397.334 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 715.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 397.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Steroids and steroid derivatives |
| Inchi | InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3 |
| Smiles | CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C |
| Xlogp | 6.1 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Steroidal glycosides |
| Molecular Formula | C27H43NO |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Solanum Melongena (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all