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 |
| Heavy Atom Count | 29.0 |
| 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. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 715.0 |
| Database Name | fooddb_chem_all;pubchem |
| 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 |
| Nih Violation | False |
| Class | Steroids and steroid derivatives |
| Xlogp | 6.1 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Steroidal glycosides |
| Molecular Formula | C27H43NO |
| Inchi Key | JVKYZPBMZPJNAJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| 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 |
| 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 |
| Compound Name | Solanid-5-en-3-ol |
| Kingdom | Organic compounds |
| Exact Mass | 397.334 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 397.334 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 397.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| 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 |
| Defined Bond Stereocenter Count | 0.0 |
- 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