1,5,5,7,9,9-Hexamethoxy-3,8a-di(prop-2-en-1-yl)-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4H)-dione
Basic information
- CAS
38451-63-7- Standard SMILES
C=CCC1=CC2(OC)C(=O)C(OC)(OC)C1C1C(OC)(OC)C(=O)C(OC)=CC12CC=C- InChIKey
XBKKBTPYPCCCKA-UHFFFAOYSA-N- Molecular formula
- C24H32O8
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.20971797
Names & identifiers
- Preferred name
- 1,5,5,7,9,9-Hexamethoxy-3,8a-di(prop-2-en-1-yl)-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4H)-dione
- IUPAC
- 3,3,5,8,10,10-hexamethoxy-7,11-bis(prop-2-enyl)tricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione
- English name
- Asatone
- Molecular formula
- C24H32O8
- Molecular weight
- 448.51
Names & synonyms
DTXSID409593411,5,5,7,9,9-Hexamethoxy-3,8a-di(prop-2-en-1-yl)-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4H)-dioneRefChem:1053396DTXCID201387223ASATONE38451-63-73,3,5,8,10,10-hexamethoxy-7,11-bis(prop-2-enyl)tricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dioneNSC289486Rel-(1R,4S,4As,8As)-3,8A-Diallyl-1,5,5,7,9,9-Hexamethoxy-1,4A,5,8A-Tetrahydro-1,4-Ethanonaphthalene-6,10(4H)-DioneAsatone ACHEMBL1987601NSC-289486
Show more names
Asatone USP/EP/BPAsatone, 10 mM in DMSONF-κB,inhibit,Asatone,Nuclear factor-κB,Inhibitor,Nuclear factor-kappaB1,4-Ethanonaphthalene-6,10(4H)-dione, 1,4a,5,8a-tetrahydro-1,5,5,7,9,9-hexamethoxy-3,8a-di-2-propen-1-yl-, (1R,4S,4aS,8aS)-rel-
XA172998
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 878
Physicochemical properties
- Boiling point
- 536.1 · 536.1±50.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- 4 °C, · 4°C, protect from light
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesAsatone is an active component isolated from Radix et Rhizoma Asari, with anti-inflammatory effect via activation of NF-κB and donwn regulation of p-MAPK (ERK, JNK and p38) pathways[1].
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…