Lignans
Cleistanthin B
山荷叶素O-葡萄糖苷
PHY-NP-05758 · Natural product research catalog
| Catalog number | PHY-NP-05758 |
|---|---|
| CAS number | 30021-77-3 |
| Molecular formula | C27H26O12 |
| Molecular weight | 542.493 g/mol |
| Chemical class | Lignans |
| Main reported source | Cleistanthus collinus |
| Purity / assay | Confirmed in quotation and batch COA |
Chemical structure
Select a pack size
| Pack | Price (USD) | Availability | Lead time |
|---|---|---|---|
| 5 mg | Request quote | To be confirmed | Confirm in quotation |
| 10 mg | Request quote | To be confirmed | Confirm in quotation |
| 20 mg | Request quote | To be confirmed | Confirm in quotation |
| 50 mg | Request quote | To be confirmed | Confirm in quotation |
| 100 mg | Request quote | To be confirmed | Confirm in quotation |
Final specifications and availability are confirmed in your quotation. No purchase or reservation is made here.
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Product information
Cleistanthin B is listed in the Lignans section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.
For research use only. Not for human or veterinary use, diagnosis or treatment.
Names & identifiers
| IUPAC name | 9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=C3C(=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)COC3=O)C5=CC6=C(C=C5)OCO6)OC |
| InChIKey | BJGIWVGXMRUMNA-WBYCZGBQSA-N |
| Subclass / scaffold | Arylnaphthalene and aryltetralin lignans |
| PubChem CID | 119458 |
Computed properties & structure classification
| Exact mass (Da) | 542.1424 | Predicted LogP | 1.1018 |
|---|---|---|---|
| Predicted TPSA (Ų) | 162.6 | H-bond donors | 4 |
| H-bond acceptors | 12 | Rotatable bonds | 6 |
| Ring count | 6 | Aromatic rings | 3 |
| Fraction Csp³ | 0.37 | Synthetic accessibility score | 4.1 |
| QED score | 0.329 | Lipinski rule violations | 2 |
| NPClassifier pathway | Shikimates and Phenylpropanoids | NPClassifier superclass | Lignans |
| NPClassifier class | Arylnaphthalene and aryltetralin lignans | Parent SMILES | COc1cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 |
| Parent formula | C27H26O12 | Parent molecular weight | 542.493 |
| Specified stereocenters | 5 | Unspecified stereocenters | 0 |
Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.
Reported natural occurrence
| Main reported source | Cleistanthus collinus |
|---|---|
| LOTUS / Wikidata species | Cleistanthus collinus[3]；Diphylleia cymosa(北美山荷叶)[1]；Diphylleia grayi(日本山荷叶)[1]；Haplophyllum buxbaumii[1]；Haplophyllum cappadocicum[1]；Hypoestes purpurea(六角英)[1]；Phyllanthus poilanei[1] |
| Source families | Phyllanthaceae[2]；Berberidaceae[2]；Rutaceae[2]；Acanthaceae[1] |
| LOTUS species records | 7 |
| LOTUS reference records | 8 |
| COCONUT occurrence records | Cleistanthus collinus；Diphylleia cymosa；Diphylleia grayi；Dysosma versipellis；Haplophyllum buxbaumii；Haplophyllum cappadocicum；Hypoestes purpurea；Justicia gendarussa；Phyllanthus poilanei；Rostellularia procumbens；phyllanthus poilanei |
| COCONUT organism records | 11 |
| COCONUT identifier | CNP0108381.1 |
Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.
Documents & specifications
| Certificate of analysis (COA) | Batch-specific document pending; not available in this preview |
|---|---|
| Safety data sheet (SDS) | Not yet published |
| Storage / solubility | Product-specific conditions to be confirmed |
| Shipping | Confirmed with the quotation |
Request applicable documentation and handling information before ordering or use.
