Conidendrin
Basic information
- CAS
518-55-8- Standard SMILES
COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H]3C(=O)OC[C@@H]23)ccc1O- InChIKey
CAYMSCGTKZIVTN-PJIJBLCYSA-N- Molecular formula
- C20H20O6
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.12598835
Overview
Conidendrin has been reported in Punica granatum, Ribes nigrum, and other organisms with data available.
Names & identifiers
- Preferred name
- Conidendrin
- IUPAC
- (3aR,9R,9aS)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one
- English name
- (-)-ALPHA-CONIDENDRIN
- Molecular formula
- C20H20O6
- Molecular weight
- 356.37
Names & synonyms
RefChem:918979(3aR,9R,9aS)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo(f)(2)benzofuran-3-oneConidendrinNSC4586CONIDENDRIN,ALPHA(-)-.alpha.-ConidendrinMLS002637763NSC-4586alpha-ConiodendrinSCHEMBL13505892Naphtho[2, 3a,4,9,9a-tetrahydro-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-, [3aR-(3a.alpha.,4.alpha.,9a.beta.)]-Naphtho[2, 3a.alpha.,4,9,9a.beta.-tetrahydro-6-hydroxy-4.alpha.-(4-hydroxy-3-methoxyphenyl)-7-methoxy-
Show more names
NSC 4586NSC642786NSC 642786NSC-642786Tsugalactone(-)-α-Conidendrin(-)-a-Conidendrin(-)-ALPHA-CONIDENDRIN3aβ,4,9,9aα-Tetrahydro-4β-(3-methoxy-4-hydroxyphenyl)-6-hydroxy-7-methoxynaphtho[2,3-c]furan-1(3H)-one
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 524
Physicochemical properties
- Melting point
- 254 · 254-255 °C
- Boiling point
- 601.4 · 601.4±55.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 9.95 · 9.95±0.40(Predicted)
- FDA UNII
- 83 D6S2EBN0 · 83D6S2EBN0
- WGK Germany
- 3 · 3
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
- wgk
- 3
Chemistry & industry
Applications
UsesConidendrin is an antioxidant lignan found in trees that is also present as a component of fine particle emissions from the fireplace combustion of 6 species of woods grown in the northeastern USA.
Uses(-)-ALPHA-CONIDENDRIN is a plant derived lignan that may be used as a source or reference compound to study bacteria that degrade plant lignans. (-)-ALPHA-CONIDENDRIN may be used as a starting material for the synthesis of sikkimotoxin derivatives and cytotoxic metabolites.
Additional notes
DefinitionChEBI: A natural product found in Taxus yunnanensis.
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Compound notes
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