beta-hydroxyisovalerylshikonin
(MXANJRGHSFELEJ-MRXNPFEDSA-N)
Structure
- SMILES
- O=C(CC(O)(C)C)O[C@@H](C1=CC(=O)c2c(C1=O)c(O)ccc2O)CC=C(C)C
- Molecular Formula:
- C21H24O7
- Molecular Weight:
- 388.411
- Log P:
- 2.8323
- Hydrogen Bond Acceptor:
- 7
- Hydrogen Bond Donor:
- 3
- TPSA:
- 121.13
- CAS Number(s):
- 7415-78-3
Synonym(s)
1.
beta-hydroxyisovalerylshikonin
2.
beta-HIVS
External Link(s)
| MeSH | C118460 |
| PubChem Compound | 479502 |
| CHEMBL | CHEMBL397309 |
| ZINC | 2525131 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Inflammation | 24365262 | CTD |
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