7-Dehydroporiferasterol
PubChem CID: 131751494
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | D7-Stigmasterol, 7-Dehydrostigmasterol, 7-dehydroporiferasterol, (3beta)-Stigmasta-5,7,22-trien-3-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Description | Constituent of boiled chicken and seed oils. Corbisterol is found in many foods, some of which are animal foods, oat, fats and oils, and arabica coffee. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 727.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-[(Z)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Nih Violation | False |
| Class | Steroids and steroid derivatives |
| Xlogp | 8.0 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Stigmastanes and derivatives |
| Molecular Formula | C29H46O |
| Inchi Key | OQMZNAMGEHIHNN-HJWRWDBZSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | (3beta)-Stigmasta-5,7,22-trien-3-ol, 7-Dehydroporiferasterol, 7-dehydrostigmasterol, Corbisterol, D7-Stigmasterol, delta-7-Stigmasterol, Stigmasta-5,7,22-trien-3-ol, (3beta)-, 7-Dehydrostigmasterol, 7-Dehydrostigmasterol, (3beta,22E,24R)-isomer |
| Compound Name | 7-Dehydroporiferasterol |
| Kingdom | Organic compounds |
| Exact Mass | 410.355 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 410.355 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 410.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,19-21,23,25-27,30H,7,12-18H2,1-6H3/b9-8- |
| Smiles | CCC(/C=C\C(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C)C(C)C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Stigmastanes and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all