purpurin
(BBNQQADTFFCFGB-UHFFFAOYSA-N)
Structure
- SMILES
- Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O
- Molecular Formula:
- C14H8O5
- Molecular Weight:
- 256.210
- Log P:
- 1.5788
- Hydrogen Bond Acceptor:
- 5
- Hydrogen Bond Donor:
- 3
- TPSA:
- 94.83
- CAS Number(s):
- 81-54-9
Synonym(s)
1.
purpurin
2.
1,2,4-trihydroxy-9,10-anthracenedione
3.
1,2,4-trihydroxy-9,10-anthraquinone
4.
1,2,4-trihydroxyanthraquinone
5.
purpurin, madder root
External Link(s)
| MeSH | C511975 |
| PubChem Compound | 6683 |
| BindingDB | 67454 |
| ChEBI | 8645 |
| CHEMBL | CHEMBL294264 |
| KEGG | cpd:C10395 |
| Therapeutic Target Database | D0XJ7I |
| ZINC | 3861633 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Carcinoma, Transitional Cell | 3586170 | CTD | |
| 2 | Neoplasms, Experimental | 3586170 | CTD |
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