Isoplumbagin
Basic information
- CAS
14777-17-4- Standard SMILES
CC1=CC(=O)c2cccc(O)c2C1=O- InChIKey
ZMOIGGHUSNHCAB-UHFFFAOYSA-N- Molecular formula
- C11H8O3
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.04734411
Overview
Isoplumbagin is a naphthoquinone.
Names & identifiers
- Preferred name
- Isoplumbagin
- IUPAC
- 8-hydroxy-2-methylnaphthalene-1,4-dione
- English name
- 1,4-Naphthalenedione, 8-hydroxy-2-methyl-
- Molecular formula
- C11H8O3
- Molecular weight
- 188.18
Names & synonyms
Isoplumbagin14777-17-48-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dioneSW8KH5YY53DTXSID701317990RefChem:1087664DTXCID2017477828-hydroxy-2-methylnaphthalene-1,4-dione1,4-Naphthalenedione, 8-hydroxy-2-methyl-2-Methyl-8-hydroxy-1,4-naphthoquinoneUNII-SW8KH5YY538-Hydroxy-2-methyl-1,4-naphthalenedione
Show more names
2-Methyl-8-oxidanyl-naphthalene-1,4-dioneNaphthsaritone5-hydroxy-3-methyl-1,4-naphthoquinoneNSC654206orb2813868SCHEMBL4304001CHEMBL1988478SCHEMBL29440907
Database identifiers
- CAS
14777-17-4- PubChem CID
- 375105
- DTXSID
DTXSID701317990- ChEMBL
CHEMBL1988478- ChEBI
CHEBI:173524- UNII
- SW8KH5YY53
- Nikkaji
- J403.487B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 316
Experimental & physicochemical properties
Melting Point67 - 68 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 383.9 · 383.9±42.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- pka
- 6.7 · 6.70±0.20(Predicted)
- FDA UNII
- 8 KH5YY53 · SW8KH5YY53
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesIsoplumbagin is antimicrobial agent. Isoplumbagin exhibits anticancer activity mainly through modulating mitochondrial dynamics and function[1].
Additional notes
DefinitionChEBI: Isoplumbagin is a naphthoquinone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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