6-isopalmityl-4-O-geranyl-2-methoxyhydroquinone
naturalproductmech:mibig-b6f11fae29 MINTED 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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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.
Structure
| Standard InChIKey | PBBKVCVGOJSEOQ-XAYXJRQQSA-N |
|---|---|
| SMILES | OC1=C(CCCCCCCCCCCCC(C)C)C=C(OC/C=C(CC/C=C(C)/C)\C)C=C1OC |
| Stereochemistry | fully defined |
Filing pathway
Terpenoids — 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 pks, 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 |
|---|---|---|---|
| Actinoplanes missouriensis 431 NCBITaxon:512565 |
SOURCE_ASSERTION | mibig:BGC0001077 | DOI:10.1002/cbic.201000628 |
Occurrences 0
None cited.
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001077 | Actinoplanes missouriensis 431 NCBITaxon:512565 |
CLUSTER_UNSTATED | genbank:AP012319.1 |
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
Causal graph — biosynthesis 2 nodes, 1 edge
Native-reference identity for Actinoplanes missouriensis 431 / NBRC 102363, taxon 512565/AP012319.1/BGC0001077. The inspected 6,550-bp forward genomic window spans 8379670..8386219, not the whole genome. Matching references do not prove measured expression, an assay construct, enzyme activity, membrane topology or native assembly.
| Subject | Predicate | Object | Notes | Evidence |
|---|---|---|---|---|
| agqC CDS (AP012319.1) | encodes the native protein reference | AgqC (431 native-reference example) | complement(8382315..8383022); 708-nt complete CDS including stop, 235 residues. | https://www.ncbi.nlm.nih.gov/nuccore/AP012319.1 |
Every edge carries its own citation; an uncited edge is refused by the corpus tests.
Causal graph — biosynthesis 2 nodes, 1 edge
Native-reference identity for Actinoplanes missouriensis 431 / NBRC 102363, taxon 512565/AP012319.1/BGC0001077. The inspected 6,550-bp forward genomic window spans 8379670..8386219, not the whole genome. Matching references do not prove measured expression, an assay construct, enzyme activity, membrane topology or native assembly.
| Subject | Predicate | Object | Notes | Evidence |
|---|---|---|---|---|
| agqD CDS (AP012319.1) | encodes the native protein reference | AgqD (431 native-reference example) | 8383088..8383885; 798-nt complete CDS including stop, 265 residues. | https://www.ncbi.nlm.nih.gov/nuccore/AP012319.1 |
Every edge carries its own citation; an uncited edge is refused by the corpus tests.
Causal graph — biosynthesis 4 nodes, 3 edges
Partial O-methylation model from MITE0000082 version 2, second enumerated reaction. MITE labels its evidence Heterologous expression and cites DOI:10.1002/cbic.201000628. That paper was inaccessible when attempted on 2026-10-07 and retrieval stopped; no directly inspected primary assay or construct is adopted. This is a database assertion, not an ordered or complete pathway. Placement in this owner is curator-inferred from BGC0001077, the shared modeled intermediate and AgqD end-product connectivity; it is not transferred to every cluster congener. Chemical/process nodes stay ungrounded. MITE marks this example as an intermediate. Its SMILES equals the selected AgqD model substrate, but no ordered pathway or automatic inter-graph bridge is asserted. Neither structure is the owner.
| Subject | Predicate | Object | Notes | Evidence |
|---|---|---|---|---|
| AgqC (431 native-reference example) | is assigned by the database to catalyze | O-methylation (MITE model) | Database evidence code, not an independently inspected enzyme experiment. | https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000082.json
|
| AgqC substrate (MITE model) | is the modeled substrate of | O-methylation (MITE model) | Source model only; no independently verified assay substrate or reaction order. | https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000082.json
|
| O-methylation (MITE model) | is modeled to yield | AgqC product (MITE model) | Not an exact owner-product identity assertion. | https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000082.json
|
Every edge carries its own citation; an uncited edge is refused by the corpus tests.
Causal graph — biosynthesis 4 nodes, 3 edges
Partial O-prenylation model from MITE0000083 version 1, second enumerated reaction. MITE labels its evidence Heterologous expression and cites DOI:10.1002/cbic.201000628. That paper was inaccessible when attempted on 2026-10-07 and retrieval stopped; no directly inspected primary assay or construct is adopted. This is a database assertion, not an ordered or complete pathway. Placement in this owner is curator-inferred from BGC0001077, the shared modeled intermediate and AgqD end-product connectivity; it is not transferred to every cluster congener. Chemical/process nodes stay ungrounded. The product shares owner connectivity but lacks one alkene geometry; it is not the exact owner key. Missing geometry is not filled from the owner. MITE isIntermediate false does not prove exact product identity or pathway finality.
| Subject | Predicate | Object | Notes | Evidence |
|---|---|---|---|---|
| AgqD (431 native-reference example) | is assigned by the database to catalyze | O-prenylation (MITE model) | Database evidence code, not an independently inspected enzyme experiment. | https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000083.json
|
| AgqD substrate (MITE model) | is the modeled substrate of | O-prenylation (MITE model) | Source model only; no independently verified assay substrate or reaction order. | https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000083.json
|
| O-prenylation (MITE model) | is modeled to yield | AgqD product (MITE model) | Not an exact owner-product identity assertion. | https://github.com/mite-standard/mite_data/blob/6eacd913b2036376031072f69cbb33908f132998/mite_data/data/MITE0000083.json
|
Every edge carries its own citation; an uncited edge is refused by the corpus tests.
Explore across X-Mech
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0001077 | MIBIG | 4 |
This page is generated from data/natural_products/terpenoids/6-isopalmityl-4-o-geranyl-2-methoxyhydroquinone.yaml, which is generated from the committed inventories. Neither is edited by hand.