Spinasterol

antibioticmech:curator-19908a5b89 ·ANTIBACTERIAL ·MINTED PROPOSED

A phytosterol with antibacterial activity against Escherichia coli and Vibrio cholerae. — DOI:10.1186/s41182-026-00996-6

Chemical structure

Computed structure properties
Molecular formula	C29H48O
Charge	0
Average mass	412.7 Da
Monoisotopic mass	412.37051615 Da
Source	https://pubchem.ncbi.nlm.nih.gov/compound/5281331 · retrieved 2026-09-08
InChIKey	JZVFJDZBLUFKCA-FXIAWGAOSA-N

SMILES

CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C

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/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1

Also called

alpha-Spinasterol (EXACT_SYNONYM)— curator
Bessisterol (EXACT_SYNONYM)— curator

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

pubchem.compound:5281331

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

antibacterial agent CHEBI:33282

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version	Evidence
CURATOR	`DOI:10.1186/s41182-026-00996-6#spinasterol`	Spinasterol	`antibioticmech:curator-19908a5b89`	2026-09-08	DOI:10.1186/s41182-026-00996-6 — "Birhanu et al. isolated spinasterol from Impatiens rothii tuber extract, identified it by MS and NMR, and measured antibacterial activity against Escherichia coli and Vibrio cholerae with MIC values of 25 ug/mL." (PubChem CID 5281331 supplies the standard InChI, InChIKey, formula, and isomeric SMILES for spinasterol.)

Curation history

PROPOSED_FROM_CURATOR_INVENTORY 2026-09-08 · seed_from_sources
Proposed from curation/curator_antibiotics.tsv

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

Explore across X-Mech: MediaIngredientMech (Spinasterol) · CultureMech · NaturalProductMech · PathwayMech · TraitMech