Basic information
- CAS
21764-41-0- Standard SMILES
CC(C)C1=C(O)C2=C(C(=O)C1=O)C1(C)CCCC(C)(C)C1CC2O- InChIKey
YVSUCPNWDPTGKM-PVUDRZGPSA-N- Molecular formula
- C20H28O4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.19875937
Overview
Taxoquinone has been reported in Peltodon longipes, Salvia deserti, and other organisms with data available.
Names & identifiers
- Preferred name
- Taxoquinone
- IUPAC
- 1,10-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
- English name
- (4bS)-4b,5,6,7,8,8aβ,9,10-Octahydro-3,10α-dihydroxy-2-isopropyl-4bα,8,8-trimethyl-1,4-phenanthrenedione
- Molecular formula
- C20H28O4
- Molecular weight
- 332.43
Names & synonyms
TAXOQUINONE21764-41-0HORMINONNSC2945771,10-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione(4bS)-4b,5,6,7,8,8abeta,9,10-Octahydro-3,10alpha-dihydroxy-2-isopropyl-4balpha,8,8-trimethyl-1,4-phenanthrenedioneNSC122418NSC-122418NSC-294577CHEMBL1969546SCHEMBL30088312DTXSID70944381
Show more names
Taxaquinone(+)-TaxoquinoneYVSUCPNWDPTGKM-PVUDRZGPSA-N7beta,12-Dihydroxy-13-isopropyl-podocarpa-8,12-diene-11,14-dione(4bS)-4b,5,6,7,8,8aβ,9,10-Octahydro-3,10α-dihydroxy-2-isopropyl-4bα,8,8-trimethyl-1,4-phenanthrenedione1,4-Phenanthrenedione, 4b,5,6,7,8,8a,9,10-octahydro-3,10-dihydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS,10S)-
WAA88701AKOS032949050NCI60_002439PD0118467,12-Dihydroxyabieta-8,12-diene-11,14-dione
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 680
Physicochemical properties
- Melting point
- 212 · 212-214℃
- Boiling point
- 469.268 · 469.268±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.194 · 1.194±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.5 · 4.500±1.00(predicted)
Chemistry & industry
Applications
UsesTaxoquinone is an antioxidant derived from Metasequoia glyptostroboides and belongs to the diterpenoid class of compounds. At a concentration of 150 μg/mL, Taxoquinone exhibits a maximum inhibition of DPPH radicals of 81.29%, demonstrating superior antioxidant activity compared to Ascorbic acid and α-tocopherol at the same concentration[1].
Suppliers9 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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