2-cis-abscisic acid
CHEBI:22152 EXACT SEEDED
A member of the class of abscisic acids in which the double bond betweeen positions 2 and 3 has cis- (natural) geometry.
Structure
| Standard InChIKey | JLIDBLDQVAYHNE-LXGGSRJLSA-N |
|---|---|
| SMILES | CC1=CC(=O)CC(C1(/C=C/C(=C\C(=O)O)/C)O)(C)C |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | pubchem:5375199 |
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 |
|---|---|---|---|
| Leptosphaeria maculans JN3 NCBITaxon:985895 |
SOURCE_ASSERTION | mibig:BGC0001899 | PMID:31034868 |
Occurrences 3
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 |
|---|---|---|
| Axinella polypoides NCBITaxon:12959 |
LOTUS | DOI:10.1016/J.BCP.2011.06.042 |
| Botrytis cinerea NCBITaxon:40559 |
LOTUS | DOI:10.1111/1462-2920.14258 |
| Leptosphaeria maculans NCBITaxon:5022 |
LOTUS | DOI:10.1016/J.FGB.2019.04.015 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001899 | Leptosphaeria maculans JN3 NCBITaxon:985895 |
CLUSTER_UNSTATED | genbank:FP929136.1 |
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.
Bioactivities 15
| Assay | Result | Reference |
|---|---|---|
| Adrenergic beta2 receptor (ADRB2) small molecule agonists, cell-based qHTS assay | 6.7823 uM | pubchem.aid:1963593 |
| Adrenergic beta2 receptor (ADRB2) small molecule agonists, cell-based qHTS assay | 6.7823 uM | pubchem.aid:1963593 |
| Adrenergic beta2 receptor (ADRB2) small molecule agonists, cell-based qHTS assay: Summary | 0.302955 uM | pubchem.aid:2061107 |
| Adrenergic beta2 receptor (ADRB2) small molecule agonists, cell-based qHTS assay: Summary | 0.302955 uM | pubchem.aid:2061107 |
| Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: luciferase reporter qHTS assay | 62.5906 uM | pubchem.aid:1671199 |
| Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: luciferase reporter qHTS assay | 62.5906 uM | pubchem.aid:1671199 |
| cAMP Responsive Elements (CRE) small molecule antagonists, cell-based qHTS assay | 0.0017 uM | pubchem.aid:1963591 |
| cAMP Responsive Elements (CRE) small molecule antagonists, cell-based qHTS assay | 0.0017 uM | pubchem.aid:1963591 |
| qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor | 0.0316 uM | pubchem.aid:926 |
| qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293 | 0.0316 uM | pubchem.aid:938 |
| qHTS assay for small molecule agonists of estrogen receptor alpha signaling | 39.8107 uM | pubchem.aid:588514 |
| qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway | 37.578 uM | pubchem.aid:651741 |
| qHTS assay for small molecule antagonists of androgen receptor signaling | 0.631 uM | pubchem.aid:588516 |
| qHTS assay to identify small molecule agonists of the endoplasmic reticulum stress response signaling pathway - cell viability counter screen | 17.187 uM | pubchem.aid:1159517 |
| qHTS assay to identify small molecules that stimulate interleukin-8 (IL-8) secretion | 74.978 uM | pubchem.aid:651758 |
Open questions 1
name-disagreement — ChEBI calls this structure '2-cis-abscisic acid' and MIBiG calls it 'abscisic acid'. 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 |
|---|---|---|
| BGC0001899 | MIBIG | 3 |
| CHEBI:22152 | CHEBI | 3-star |
This page is generated from data/natural_products/terpenoids/2-cis-abscisic-acid.yaml, which is generated from the committed inventories. Neither is edited by hand.