Detail Information
P450 Protein:
| P450 Symbol | CYP72F1 |
| Protein Name | |
| Uniprot ID | |
| Species | Andrographis Paniculata |
| Txid | 175694 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | |
| Protein Sequence | GO |
| Remarks | protein_id=C_AAK77054.1 |
Reaction Scheme:
| Chemical Conversion | C20H30O3 → C20H30O4 |
| Reaction Type | Oxidation |
| Chemical Bond | C=C |
CYP72F1
Substrate Information:
| Substrate Name | andrograpanin |
| Substrate Chemical Formula | C20H30O3 |
| Substrate PubChem CID | 11666871 |
| Substrate Smiles | C[C@]1(CCC[C@@]2([C@@H]1CCC(=C)[C@H]2CCC3=CCOC3=O)C)CO |
| Substrate Structure |
Product Information:
| Product Name | 3-dehydroxy-andrographoide |
| Product Chemical Formula | C20H30O4 |
| Product Smiles | [H][C@@]1([C@](C)2[C@]([H])(CCC1=C)[C@](CO)(CCC2)C)C/C=C1/C(=O)OC[C@H]/1O |
| Product Structure |
References:
| Title: | Completing the Biosynthesis of the Clinically Important Diterpenoid Andrographolide in Andrographis Paniculata. |
| PMID: | 40364767 |
| Journal: | Angew Chem Int Ed Engl |
| Year: | 2025/5/14 |