(S,S)-2,5-di-(p-hydroxybenzyl)piperazine
CHEBI:145895 EXACT SEEDED
What these status tags mean
Curation status describes a workflow state. SEEDED means the record entered through the source-seeding workflow; it does not imply that no later curation occurred. PROPOSED marks an addition awaiting review; REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record. These are workflow decisions, not independently verified human review. Agent-assisted contributions may appear in the record history.
Grounding describes the identifier mapping: EXACT uses an ontology identity asserted by the source; MINTED keeps a local identifier when no defensible ontology identity is available; REVIEW_NEEDED flags an exact structure whose ontology identity needs adjudication. The grounding note retains any unresolved alternatives. These tags do not establish the strength of producer or activity evidence.
A member of the class of piperazines that is piperazine in which the pro-S hydrogens at positions 2 and 5 have each been replaced by a p-hydroxybenzyl group.
Structure
| Standard InChIKey | CMWOCHXOAOFYCY-HOTGVXAUSA-N |
|---|---|
| SMILES | OC1=CC=C(C[C@H]2CN[C@@H](CC3=CC=C(O)C=C3)CN2)C=C1 |
| Stereochemistry | fully defined |
Filing pathway
Alkaloids — computed by NPClassifier npclassifier.gnps2.org@2026-09-07, which is why it is pinned rather than recomputed. The gene cluster's asserted class is nrps, from MIBiG.
Producer organisms 1
A claim that this taxon makes the compound. The basis says what the evidence addressed — a knockout and a database assertion are not the same claim.
| Taxon | Basis | Cluster | Evidence |
|---|---|---|---|
| Aspergillus flavus NRRL3357 NCBITaxon:332952 |
SOURCE_ASSERTION | mibig:BGC0002167 | PMID:23281040 |
Occurrences 0
None cited.
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0002167 | Aspergillus flavus NRRL3357 NCBITaxon:332952 |
CLUSTER_UNSTATED | genbank:CP059871.1 |
A locus claim and a taxon claim are different questions. Heterologous expression settles the first and leaves the second where the isolation report left it.
Mechanism & Biosynthesis Overview
Explore across X-Mech
Open questions 1
name-disagreement — ChEBI calls this structure '(S,S)-2,5-di-(p-hydroxybenzyl)piperazine' and MIBiG calls it 'piperazine compound 1'. They share a Standard InChIKey, so if the names denote different compounds then one upstream record has the wrong structure. Check which.
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0002167 | MIBIG | 2 |
| CHEBI:145895 | CHEBI | 3-star |
This page is generated from data/natural_products/alkaloids/s-s-2-5-di-p-hydroxybenzyl-piperazine.yaml, which is generated from the committed inventories. Neither is edited by hand.