Basic information
- CAS
63910-76-9- Standard SMILES
C=CC(O)C#CC#CC=CC(O)CCCCCCC- InChIKey
DSVMWGREWREVQQ-UHFFFAOYSA-N- Molecular formula
- C17H24O2
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.17763
Overview
heptadeca-1,8-dien-4,6-diyne-3,10-diol has been reported in Panax japonicus and Panax notoginseng with data available.
Names & identifiers
- Preferred name
- 1,8-Heptadecadiene-4,6-diyne-3,10-diol
- IUPAC
- heptadeca-1,8-dien-4,6-diyne-3,10-diol
- English name
- 1,8-heptadecadiene-4,6-diyne-3,10-diol
- Molecular formula
- C17H24O2
- Molecular weight
- 260.37
Names & synonyms
1,8-Heptadecadiene-4,6-diyne-3,10-diol1,8-HddddDTXSID101284391heptadeca-1,8-dien-4,6-diyne-3,10-diolRefChem:907068DTXCID10104706263910-76-9708257-91-4orb1680930IDB25791NCA91076Panaxydiol
Database identifiers
- CAS
63910-76-9- PubChem CID
- 4557
- DTXSID
DTXSID101284391
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
Chemistry & industry
Applications
UsesPanaxydiol exhibits histamine-release inhibition activity[1]. Panaxydiol is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Suppliers32 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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