Basic information
- CAS
1178-24-1- Standard SMILES
COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC- InChIKey
SSXJHQZOHUYEGD-UHFFFAOYSA-N- Molecular formula
- C22H24O9
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.14203234
Overview
3-Methoxynobiletin is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- 3,5,6,7,8,3',4'-Heptamethoxyflavone
- IUPAC
- 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxychromen-4-one
- English name
- 3,5,6,7,8,3',4'-Heptamethoxyflavone
- Molecular formula
- C22H24O9
- Molecular weight
- 432.42
Names & synonyms
1178-24-13,3',4',5,6,7,8-Heptamethoxyflavone3,5,6,7,8,3',4'-Heptamethoxyflavone3-HptmfHepta-32-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxychromen-4-one4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-288R4CAV1VDTXSID70151912RefChem:25883DTXCID20744033-Methoxynobiletin
Show more names
3,5,6,7,8,3′,4′-heptamethoxyflavoneNSC 618928Heptamethoxyflavones5,6,7,8,3,4-hepteMthoxyflavone3’,4’,3,5,6,7,8-Heptamethoxyflavone
2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-chromen-4-one3,5,6,7,8,3',4'-heptemthoxyflavoneMFCD002105132-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-1-benzopyran-4-one3',4',3,5,6,7,8-heptamethoxyflavoneCHEMBL779933,?5,?6,?7,?8,?3',?4'-?HeptemthoxyflavoneNSC-618928
Database identifiers
- CAS
1178-24-1- PubChem CID
- 150893
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 651
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Melting Point129 - 131 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 129 · 129-131 °C
- Boiling point
- 618.7 · 618.7±55.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- solubility
- DMSO: soluble; Methanol: soluble
- form
- A solid
- color
- White to off-white
- InChI
- InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3
- InChIKey
- SSXJHQZOHUYEGD-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(OC)C(OC)=C2)OC2=C(OC)C(OC)=C(OC)C(OC)=C2C(=O)C=1OC
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
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesUsed for content determination/identification/pharmacological experiments, etc.
Suppliers95 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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