marneral
CHEBI:63465 EXACT SEEDED
A triterpenoid and aldehyde that is 3-cyclohexylpropanal in which the cyclohexyl group is substituted by methyl groups at positions 2 and 3, by an (E,E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl group at position 2, and by a propan-2-ylidene group at position 6 (the 1S,2R,3R-enantiomer).
Structure
| Standard InChIKey | VNBRFEUEYRHQBM-OPEBEUCHSA-N |
|---|---|
| SMILES | C[C@@H]1CCC(=C(C)C)[C@H]([C@]1(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCC=O |
| Stereochemistry | fully defined |
| Cross-references | pubchem:25001002 |
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 terpene, 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 |
|---|---|---|---|
| Arabidopsis thaliana NCBITaxon:3702 |
BGC_CORRELATED | mibig:BGC0000669 | PMID:21876149 |
Occurrences 0
None cited.
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000669 | Arabidopsis thaliana NCBITaxon:3702 |
CLUSTER_DEMONSTRATED | genbank:NC_003076.8 |
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.
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0000669 | MIBIG | 3 |
| CHEBI:63465 | CHEBI | 3-star |
This page is generated from data/natural_products/terpenoids/marneral.yaml, which is generated from the committed inventories. Neither is edited by hand.