Solancarpidine
PubChem CID: 5250
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| Compound Synonyms | solasodine, Spirosol-5-en-3-ol, Salasdine, Salasodine, Purapuridine, 126-17-0, Solancarpidine, Solasodin, Solanidine-S, Solancarpine, Sosasodine, Tomatidenol, Solanidine S, NSC179187, Solasod-5-en-3 beta-ol, Solasod-5-en-3.beta.-ol, SOLASODINE HYDROCHLORIDE BASE, Spirosol-5-en-3-ol,22.alpha.,25R)-, Solauricidine, NSC178260, NSC-179187, Solasod-5-en-3beta -ol, Oprea1_090106, CHEMBL1964743, SCHEMBL12838252, ACon1_001598, DTXSID40871610, Solasod-5-en-3alpha ,25R)-, SPIROSOL-5-EN-3-BETA-OL, BCP10954, AKOS003275084, NCGC00017170-02, DB-041812, (3, A,22, A,25R)-Spirosol-5-en-3-ol, Purapuridine, Solancarpidine, Solasodin, Salasdine, Spirosol-5-en-3-ol, (3beta ,22alpha ,25R)-, 1415-77-6 |
|---|---|
| Topological Polar Surface Area | 41.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Description | Solasodine is a poisonous glycoalkaloid chemical compound that occurs in plants of the Solanaceae family. Solasodine is found in many foods, some of which are peppermint, chinese cinnamon, alaska blueberry, and sweet rowanberry. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 749.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_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'-piperidine]-16-ol |
| Prediction Hob | 1.0 |
| Class | Steroids and steroid derivatives |
| Xlogp | 5.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Steroidal alkaloids |
| Molecular Formula | C27H43NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KWVISVAMQJWJSZ-UHFFFAOYSA-N |
| Fcsp3 | 0.925925925925926 |
| Logs | -5.038 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 4.597 |
| Synonyms | Purapuridine, Salasdine, Salasodine, Solancarpidine, Solancarpine, Solanidine S, Solanidine-s, Solasod-5-en-3 beta-ol, Solasod-5-en-3&alpha, ,25R)-, Solasod-5-en-3&beta, -ol, Solasod-5-en-3beta -ol, Solasodin, Solasodine, Solasodine hydrochloride base, Sosasodine, Spirosol-5-en-3-ol, Spirosol-5-en-3-ol, (3&beta, ,22&alpha, ,25R)-, Tomatidenol, b-Solanigrine, a-Solanigrine, Solanidine-S, Ginsenoside I, Solasodine citrate, (3alpha,22alpha,25R)-isomer, Solasodine, (3beta,22beta,25S)-isomer |
| Compound Name | Solancarpidine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 413.329 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 413.329 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 413.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -5.800305200000001 |
| Inchi | InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3 |
| Smiles | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Spirosolanes and derivatives |
- 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 Solanum Melongena (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Solanum Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all