Phyto4Health

Cholesterol

Representations & DB's id
ChEBI: CHEBI:16113
ChEMBL: CHEMBL112570
PubChem: 5997
IUPAC: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Standard InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
Standard InChI Key: HVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES: CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)C

Molecular propeties
AlogP: 7.39
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 5
Number of rings: 4
Molecular Weight: 386.35
Topological polar surface area: 20.2
Number of aromatic rings: 0
Fsp3: 0.926
Number of carbons: 27

Plant sources

Part of plant Plant name Ref.
SeedLinum usitatissimum
PlantSchisandra chinensis
FlowerCalendula officinalis
SeedJuglans regia
PlantSilybum marianum
PlantRhaponticum carthamoides

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC50500000 nMDNA polymerase alpha subunitP09884
IC50200000 nMCytochrome P450 51Q16850
Potency6309.6 nMPrelamin-A/CP02545
Potency54482.7 nMNuclear factor erythroid 2-related factor 2Q16236
Others96.3 %Isocitrate dehydrogenase [NADP] cytoplasmicO75874
Others105.2 %Isocitrate dehydrogenase [NADP] cytoplasmicO75874