shikonin
(NEZONWMXZKDMKF-SNVBAGLBSA-N)
Structure
- SMILES
- CC(=CC[C@H](C1=CC(=O)c2c(C1=O)c(O)ccc2O)O)C
- Molecular Formula:
- C16H16O5
- Molecular Weight:
- 288.295
- Log P:
- 2.1204
- Hydrogen Bond Acceptor:
- 5
- Hydrogen Bond Donor:
- 3
- TPSA:
- 94.83
- CAS Number(s):
- 517-89-5
Synonym(s)
1.
shikonin
2.
1,4-naphthalenedione, 5,8-dihydroxy-2-((1R)-1-hydroxy-4-methyl-3-penten-1-yl)-
3.
1,4-naphthalenedione, 5,8-dihydroxy-2-((1r)-1-hydroxy-4-methyl-3-pentenyl)-
4.
1,4-naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (R)-
5.
1,4-naphthoquinone, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (+)-
6.
2-((1R)-1-hydroxy-4-methyl-3-pentenyl)-5,8-dihydroxy-1,4-naphthoquinone
7.
5,8-dihydroxy-2-((1R)-1-hydroxy-4-methyl-3-penten-1-yl)-1,4-naphthalenedione
8.
isoarnebin 4
9.
shikonin, (+)-isomer
External Link(s)
| MeSH | C016101 |
| PubChem Compound | 479503 |
| ChEBI | 81068 |
| CHEMBL | CHEMBL9470 |
| KEGG | cpd:C17412 |
| ZINC | 2015152 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Cicatrix, Hypertrophic | 31301289 | CTD | |
| 2 | Necrosis | 24463199 | CTD | |
| 3 | Neoplasm Metastasis | 23562787 | CTD |
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