STIGMASTEROL

CNP0389131.15 · C29H48O · View on COCONUT ↗

2D Structure

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Identifiers

Name	STIGMASTEROL
IUPAC Name	(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(~{E},1~{R},4~{S})-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol
COCONUT ID	CNP0389131.15
CAS	83-48-7
InChIKey	HCXVJBMSMIARIN-PHZDYDNGSA-N
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
SMILES	CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C

Properties

Molecular Formula	C29H48O
Molecular Weight	412.70
Exact Mass	412.37052
Log P (ALogP)	7.80
TPSA	20.23
H-Bond Donors / Acceptors	1 / 1
Rotatable Bonds	5
Lipinski's Rule of 5 Violations	1
QED Drug-likeness	0.46
NP-likeness	2.80

Classification

NP Pathway	Terpenoids
NP Superclass	Steroids
NP Class	Cholestane steroids
Chemical Superclass	Lipids and lipid-like molecules
Chemical Class	Steroids and steroid derivatives
Chemical Subclass	Stigmastanes and derivatives

Reported in GR-MAPs Plants

Andrographis paniculata	as “Andrographis paniculata” in COCONUT
Ocimum sanctum	as “Ocimum tenuiflorum” in COCONUT
Catharanthus roseus	as “Catharanthus roseus” in COCONUT
Centella asiatica	as “Centella asiatica” in COCONUT
Papaver somniferum	as “Papaver somniferum” in COCONUT
Tagetes erecta	as “Tagetes erecta” in COCONUT
Nicotiana tabacum	as “Nicotiana tabacum” in COCONUT
Arabidopsis thaliana	as “Arabidopsis thaliana” in COCONUT
Withania somnifera	as “Withania somnifera” in COCONUT
Matricaria chamomilla	as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Murraya koenigii	as “Murraya koenigii” in COCONUT
Artemisia annua	as “Artemisia Annua; Artemisia annua L.” in COCONUT
Foeniculum vulgare	as “Foeniculum Vulgare” in COCONUT
Daucus carota	as “Daucus carota” in COCONUT
Cayratia japonica	as “Cayratia japonica” in COCONUT
Salvia officinalis	as “Salvia officinalis” in COCONUT
Ocimum tenuiflorum	as “Ocimum tenuiflorum” in COCONUT
Tephrosia purpurea	as “Tephrosia purpurea” in COCONUT
Azadirachta indica	as “Azadirachta indica” in COCONUT
Chlorophytum brovillianum	as “Chlorophytum borivilianum” in COCONUT
Crocus sativus	as “Crocus sativus” in COCONUT
Canabis Sativa	as “Cannabis sativa” in COCONUT
Rauvolfia serpentina	as “Rauvolfia serpentina” in COCONUT
Oryza sativa	as “Oryza Sativa” in COCONUT
Gossypium hirsutum	as “Gossypium hirsutum” in COCONUT
Solanum lycopersicum	as “Solanum lycopersicum” in COCONUT

References (1194)

Showing 40 of 1194. See all references on COCONUT.

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.

COCONUT Compound