Phyto4Health

Stigmasterol

Representations & DB's id
ChEBI: CHEBI:28824
ChEMBL: CHEMBL400247
PubChem: 5280794
IUPAC: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Standard InChI: InChI=1S/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
Standard InChI Key: HCXVJBMSMIARIN-PHZDYDNGSA-N
SMILES: CC[C@@H](C(C)C)/C=C/[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

Molecular propeties
AlogP: 7.8
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 5
Number of rings: 4
Molecular Weight: 412.37
Topological polar surface area: 20.2
Number of aromatic rings: 0
Fsp3: 0.862
Number of carbons: 29

Plant sources

Part of plant Plant name Ref.
FructusPunica granatum
FructusPunica granatum
RubraPanax ginseng
RubraPanax ginseng
PlantRhamnus cathartica
PlantViburnum opulus
PlantCitrullus colocynthis
PlantCannabis sativa
StemVerbascum thapsus
LeafVerbascum thapsus
RootVerbascum thapsus
SeedVerbascum thapsus
NigraSesamum indicum
NigraSesamum indicum
SemenLinum usitatissimum
PlantArnica foliosa
PlantMalva sylvestris
FlowerCalendula officinalis
LeafTaraxacum officinale
RootTaraxacum officinale
PlantNerium oleander
SemenJuglans regia
PlantSilybum marianum
FructusCapsicum annuum
PlantPolemonium caeruleum
FlowerCrocus sativus
PlantMalus sylvestris

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others0 %Serotonin 7 (5-HT7) receptorP34969
Others101 %Isocitrate dehydrogenase [NADP] cytoplasmicO75874
Others111.3 %Isocitrate dehydrogenase [NADP] cytoplasmicO75874