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Silver no_smiles Hydroxylation

CYP71AU87

Marrubium vulgare CYP71A

Lamiaceae

Substrate reaction site Product reaction site MCS substructure diff highlighting · RDKit atom mapping
Substrate
9,13-epoxy-labd-14-ene
PubChem ↗ C[C@@H]1CC[C@@H]2[C@@]([C@@]13CCC(O3)(C)C=C)(CCCC2(C)C)C
CYP71AU87
ΔMass: no_smiles Missing dual SMILES or RDKit not validated
Product
9,13-epoxy labd-14-ene-19-ol
PubChem ↗ Crowdsource product structure

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; In vitro enzyme assay with recombinant CYP71AU87 and MvCPS1/MvELS products; product identity confirmed by GC-MS and NMR.

Reaction & quality gates

Mechanism
Hydroxylation
Evidence type
In vitro
Confidence
High
Data tier
Silver
mass=no_smiles; incomplete_SMILES
Substrate class
Other
Product class
Other

Literature & public identifiers

PubMed
PMID:30909879 ↗
DOI
10.1186/s12870-019-1702-5 ↗
UniProt
MH593587 ↗
GenBank
MH593587 ↗
NCBI TaxID
41230 ↗

Functional characterization of the cytochrome P450 monooxygenase CYP71AU87 indicates a role in marrubiin biosynthesis in the medicinal plant Marrubium vulgare.