Phyto4Health

5,6-Dihydro Ergosterol

Representations & DB's id

ChEBI: CHEBI:20651
ChEMBL: CHEMBL463973
PubChem: 5283628
IUPAC: (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Standard InChI: InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1
Standard InChI Key: QOXPZVASXWSKKU-UEIWAABPSA-N
SMILES: O[C@H]1CC[C@]2([C@H](C1)CC=C1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C

Molecular propeties

AlogP: 7.41
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 398.35
Topological polar surface area: 20.2
Number of aromatic rings: 0
Fsp3: 0.857
Number of carbons: 28

Plant sources

Part of plant Plant name Ref.
PlantPrunus cerasus
PlantPimpinella anisum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.