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Silver no_smiles Hydroxylation

CYP71D411

Salvia miltiorrhiza CYP71D

Lamiaceae

Substrate reaction site Product reaction site MCS substructure diff highlighting · RDKit atom mapping
Substrate
sugiol
PubChem ↗ CC(C)C1=C(C=C2C(=C1)C(=O)C[C@@H]3[C@@]2(CCCC3(C)C)C)O
CYP71D411
ΔMass: no_smiles Missing dual SMILES or RDKit not validated
Product
20-hydroxysugiol
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; CYP71D411 catalyzes C20 hydroxylation of sugiol (3) to 20-hydroxysugiol (12), confirmed by NMR after scaled-up reaction.

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:33514704 ↗
DOI
10.1038/s41467-021-20959-1 ↗
UniProt
A0A0B4VRH1 ↗
GenBank
NCBI TaxID
226208 ↗

Expansion within the CYP71D subfamily drives the heterocyclization of tanshinones synthesis in Salvia miltiorrhiza.