(+)-eremophilene
CHEBI:137562 EXACT SEEDED
A member of the classs of octahydronaphthalenes and a sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene which is substituted by an isopropenyl group at position 3 and by methyl groups at positions 4a and 5 (the 3S,4aS,5R- diastereoisomer).
Structure
| Standard InChIKey | QEBNYNLSCGVZOH-IPYPFGDCSA-N |
|---|---|
| SMILES | C[C@@H]1CCC=C2CC[C@@H](C[C@@]12C)C(C)=C |
| Stereochemistry | fully defined |
| Cross-references | npatlas:NPA09636 |
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 |
|---|---|---|---|
| Sorangium cellulosum So ce56 NCBITaxon:448385 |
SOURCE_ASSERTION | mibig:BGC0001201 | PMID:25504914 |
Occurrences 4
Somebody found the compound in this organism and cited it. That is not a claim that the organism makes it, and nothing here promotes one to the other.
| Taxon | Source | Reference |
|---|---|---|
| Picea glehnii NCBITaxon:130206 |
LOTUS | DOI:10.1007/BF00713346 |
| Valeriana officinalis NCBITaxon:19953 |
LOTUS | DOI:10.1135/CCCC19661113 |
| Sorangium cellulosum NCBITaxon:56 |
LOTUS | DOI:10.1002/CBIC.201402443 |
| Sorangium cellulosum NCBITaxon:56 |
LOTUS | DOI:10.1135/CCCC19642369 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001201 | Sorangium cellulosum So ce56 NCBITaxon:448385 |
CLUSTER_UNSTATED | genbank:AM746676.1 |
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.
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0001201 | MIBIG | 3 |
| CHEBI:137562 | CHEBI | 3-star |
This page is generated from data/natural_products/terpenoids/eremophilene.yaml, which is generated from the committed inventories. Neither is edited by hand.