25(27)-Dehydroporiferasterol
PubChem CID: 157009902
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 25(27)-Dehydroporiferasterol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | ZTJFINKUHDHOSM-SGUOLBJQSA-N |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 30.0 |
| Compound Name | 25(27)-Dehydroporiferasterol |
| Description | 25(27)-dehydroporiferasterol belongs to stigmastanes and derivatives class of compounds. Those are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. 25(27)-dehydroporiferasterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 25(27)-dehydroporiferasterol can be found in cucumber, muskmelon, and watermelon, which makes 25(27)-dehydroporiferasterol a potential biomarker for the consumption of these food products. |
| Exact Mass | 410.355 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.355 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 716.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 410.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (3S,10R,13R)-17-[(2R,3E,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 1.0 |
| 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/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/b9-8+/t20-,21+,23+,24?,25?,26?,27?,28+,29-/m1/s1 |
| Smiles | CC[C@@H](/C=C/[C@@H](C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(=C)C |
| Xlogp | 8.7 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C29H46O |
- 1. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cucumis Melo (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all