31-nor-Lanosterol
PubChem CID: 129728407
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 31-nor-Lanosterol, 4,14-dimethyl-5alpha-cholest-8,24-dien-3beta-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Description | 31-nor-lanosterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 31-nor-lanosterol can be found in a number of food items such as green bell pepper, pepper (c. annuum), yellow bell pepper, and red bell pepper, which makes 31-nor-lanosterol a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 727.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (3S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol |
| Nih Violation | False |
| Class | Steroids and steroid derivatives |
| Xlogp | 8.5 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Cholestane steroids |
| Molecular Formula | C29H48O |
| Inchi Key | KLZWTHGLLDRKHD-CNWMGSDUSA-N |
| Rotatable Bond Count | 4.0 |
| Compound Name | 31-nor-Lanosterol |
| Kingdom | Organic compounds |
| Exact Mass | 412.371 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 412.371 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 412.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h9,20-23,26,30H,8,10-18H2,1-7H3/t20-,21?,22-,23+,26+,27+,28-,29+/m1/s1 |
| Smiles | CC1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC=C(C)C)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cholesterols and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all