CHEBI:67594 - stigmast-5-ene-3β,7α-diol

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ChEBI Name stigmast-5-ene-3β,7α-diol
ChEBI ID CHEBI:67594
ChEBI ASCII Name stigmast-5-ene-3beta,7alpha-diol
Definition A 3β-hydroxy steroid that is sitosterol substituted by an additional α-hydroxy group at position 7. It has been isolated from the roots of Breynia fruticosa.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C29H50O2
Net Charge 0
Average Mass 430.70610
Monoisotopic Mass 430.38108
InChI InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,26-,27+,28+,29-/m1/s1
InChIKey SXJVFYZNUGGHRG-GDDJFQTCSA-N
SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Metabolite of Species Details
Breynia fruticosa (NCBI:txid296042) Found in root (BTO:0001188). 90% Methanolic extract of air-dried, crushed roots. See: PubMed
Melia toosendan (NCBI:txid71608) Found in fruit (BTO:0000486). 95% ethanolic extract of dried fruits See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing stigmast-5-ene-3β,7α-diol (CHEBI:67594) has functional parent sitosterol (CHEBI:27693)
stigmast-5-ene-3β,7α-diol (CHEBI:67594) has parent hydride stigmastane (CHEBI:26773)
stigmast-5-ene-3β,7α-diol (CHEBI:67594) has role metabolite (CHEBI:25212)
stigmast-5-ene-3β,7α-diol (CHEBI:67594) has role plant metabolite (CHEBI:76924)
stigmast-5-ene-3β,7α-diol (CHEBI:67594) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
stigmast-5-ene-3β,7α-diol (CHEBI:67594) is a 7α-hydroxy steroid (CHEBI:36843)
IUPAC Name
(3β,7α)-stigmast-5-ene-3,7-diol
Synonym Source
Hydroxysitosterol ChemIDplus
Registry Numbers Types Sources
34427-61-7 CAS Registry Number ChemIDplus
7001765 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21428418 PubMed citation Europe PMC
Last Modified
25 April 2017