13-Hydroxyberberine
AlkaPlorer ID: AK003512
Synonym: None
IUPAC Name: 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-21-ol;chloride
Structure
SMILES: COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)O)OC.[Cl-]
InChI: InChI=1S/C20H17NO5.ClH/c1-23-15-4-3-12-14(20(15)24-2)9-21-6-5-11-7-16-17(26-10-25-16)8-13(11)18(21)19(12)22;/h3-4,7-9H,5-6,10H2,1-2H3;1H
InChIKey: SAFQLLBOPKXYLB-UHFFFAOYSA-N
Reference
PubChem CID: 24827073
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hydrastis canadensis | Hydrastis | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Stephania hainanensis | Stephania | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Stephania succifera | Stephania | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 387.8190000000001
TPSA？: 61.03
MolLogP？: -0.19410000000000038
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Agrostis stolonifera var. palustris | Agrostis stolonifera var. palustris | Activity | 0.0 | % | 10.1271/bbb.64.1998 |
| Blumeria graminis f. sp. tritici | Blumeria graminis f. sp. tritici | Activity | 41.0 | % | 10.1271/bbb.64.1998 |
| Lemna minor | Lemna minor | Activity | 0.0 | % | 10.1271/bbb.64.1998 |
| Parastagonospora nodorum | Parastagonospora nodorum | Activity | 0.0 | % | 10.1271/bbb.64.1998 |
| Parastagonospora nodorum | Parastagonospora nodorum | Inhibition | 0.0 | % | 10.1271/bbb.64.1998 |
| Phytophthora infestans | Phytophthora infestans | Activity | 0.0 | % | 10.1271/bbb.64.1998 |
| Phytophthora infestans | Phytophthora infestans | Inhibition | 40.0 | % | 10.1271/bbb.64.1998 |
| Puccinia recondita | Puccinia recondita | Activity | 67.0 | % | 10.1271/bbb.64.1998 |
| Pyricularia oryzae | Pyricularia oryzae | Inhibition | 0.0 | % | 10.1271/bbb.64.1998 |
| Rhizoctonia solani | Rhizoctonia solani | Inhibition | 0.0 | % | 10.1271/bbb.64.1998 |
| Ustilago maydis | Ustilago maydis | Inhibition | 0.0 | % | 10.1271/bbb.64.1998 |
| Zymoseptoria tritici | Zymoseptoria tritici | Inhibition | 0.0 | % | 10.1271/bbb.64.1998 |