CAS

Canadine synthase

Substrate reaction site Product reaction site MCS substructure diff highlighting · RDKit atom mapping

Substrate

(S)-tetrahydrocolumbamine

PubChem ↗ COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC

CAS

ΔMass: -2.0157 Da ketone_formation(-2.0157)

Product

(S)-canadine

PubChem ↗ COC1=C(C2=C(C[C@H]3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC

Evidence trail

Excerpts are machine-extracted plain text for biochemical provenance. Follow DOI / PubMed links for the primary literature; publisher figures and PDF images are not displayed here.

Source text excerpt ation; ation; Canadine synthase (CAS) from Thalictrum flavum, Coptis japonica, Argemone mexicana, Papaver somniferum; heterologous expression in yeast; evidence from LC-MS/MS detection of canadine; enzyme variants tested.

Reaction & quality gates

Mechanism: Ketone formation (-2.02 Da)
Evidence type: In vivo
Confidence: High
Data tier: Gold
Latin binomial + experiment + dual SMILES + ΔMass pass
Substrate class: Other
Product class: Other

Literature & public identifiers

PubMed: PMID:26376732 ↗
DOI: 10.1186/s12934-015-0332-3 ↗
UniProt: A0A075DZ00 ↗
GenBank: —
NCBI TaxID: —

Optimization of yeast-based production of medicinal protoberberine alkaloids.