Basic information
- CAS
63335-23-9- Standard SMILES
O=C(CCCCCCCCc1ccccc1)c1c(O)cccc1O- InChIKey
IAXIHKJASWPASP-UHFFFAOYSA-N- Molecular formula
- C21H26O3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.18819469
Overview
MALABARICONE A has been reported in Myristica castaneifolia, Myristica malabarica, and other organisms with data available.
Names & identifiers
- Preferred name
- Malabaricone A
- IUPAC
- 1-(2,6-dihydroxyphenyl)-9-phenylnonan-1-one
- English name
- 1-(2,6-Dihydroxyphenyl)-9-phenyl-1-nonanone
- Molecular formula
- C21H26O3
- Molecular weight
- 326.43
Names & synonyms
MALABARICONE A63335-23-91-(2,6-dihydroxyphenyl)-9-phenylnonan-1-oneDTXSID70314727RefChem:925216DTXCID602658501-(2,6-Dihydroxyphenyl)-9-phenyl-1-nonanone1-(2,6-dihydroxyphenyl)-9-phenyl-nonan-1-oneMalabaricone-AMalabaricon-Aorb1217789orb1296981
Show more names
Malabaricone A, 10 mM in DMSO1-Nonanone, 1-(2,6-dihydroxyphenyl)-9-phenyl-
SCHEMBL9117944CHEMBL1254269IAXIHKJASWPASP-UHFFFAOYSA-NHY-N9973BDBM50182487NSC287966TN6770AKOS040763673
Database identifiers
- CAS
63335-23-9- PubChem CID
- 324062
- DTXSID
DTXSID70314727- ChEMBL
CHEMBL1254269- Nikkaji
- J19.528F
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 80 · 80-82 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 488.1 · 488.1±35.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 7.48 · 7.48±0.35(Predicted)
Chemistry & industry
Applications
UsesMalabaricone A is a diarylnonanoid isolated from the Myristicaceae family of plants, and it is found to significantly induce cytotoxicity in human histiocytic lymphoma cell line.
Upstream & downstream products
Upstream raw materials
Suppliers30 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
Hubei Danding Pharmaceutical Technology Co., Ltd+86-18917019315 +86-13173601896 · [email protected]
佛山宝诺生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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