Chrycorin
PubChem CID: 11435957
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | chrycorin, 5-(thiophen-2-yl)-2H,3H,4H,6H,7H,7aH-cyclopenta[b]pyran-6-one, CHEBI:174112, DTXSID701169317, 91362-90-2, 5-thiophen-2-yl-3,4,7,7a-tetrahydro-2H-cyclopenta[b]pyran-6-one, (+)-3,4,7,7a-Tetrahydro-5-(2-thienyl)cyclopenta[b]pyran-6(2H)-one, 3,4,7,7a-Tetrahydro-5-(2-thienyl)cyclopenta[b]pyran-6(2H)-one, 9CI |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 54.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCCCC2C1C1CCCC1 |
| Deep Smiles | O=CCCC=C5ccccs5))))))CCCO6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Oxanes |
| Description | Isolated from Chrysanthemum coronarium (chop-suey greens). Chrycorin is found in herbs and spices. |
| Scaffold Graph Node Level | OC1CC2OCCCC2C1C1CCCS1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-thiophen-2-yl-3,4,7,7a-tetrahydro-2H-cyclopenta[b]pyran-6-one |
| Class | Oxanes |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.3 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H12O2S |
| Scaffold Graph Node Bond Level | O=C1CC2OCCCC2=C1c1cccs1 |
| Inchi Key | FCVWHDAKNZMSON-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 3,4,7,7a-Tetrahydro-5-(2-thienyl)cyclopenta[b]pyran-6(2H)-one, 9CI, 3,4,7,7a-tetrahydro-5-(2-Thienyl)cyclopenta[b]pyran-6(2H)-one, 9ci, chrycorin |
| Esol Class | Soluble |
| Functional Groups | COC, cC1=C(C)CCC1=O, csc |
| Compound Name | Chrycorin |
| Kingdom | Organic compounds |
| Exact Mass | 220.056 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.056 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 220.29 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H12O2S/c13-9-7-10-8(3-1-5-14-10)12(9)11-4-2-6-15-11/h2,4,6,10H,1,3,5,7H2 |
| Smiles | C1CC2=C(C(=O)CC2OC1)C3=CC=CS3 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Oxanes |
- 1. Outgoing r'ship
FOUND_INto/from Glebionis Coronaria (Plant) Rel Props:Reference:ISBN:9788172361792; ISBN:9788185042114