Basic information
- CAS
549-21-3- Standard SMILES
COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2- InChIKey
ZHYQCBCBTQWPLC-UHFFFAOYSA-N- Molecular formula
- C20H17NO5
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.11067264
Overview
8-oxyberberine has been reported in Arcangelisia gusanlung, Thalictrum foliolosum, and other organisms with data available.
Names & identifiers
- Preferred name
- Oxyberberine
- IUPAC
- 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one
- English name
- BERLAMBINE
- Molecular formula
- C20H17NO5
- Molecular weight
- 351.35
Names & synonyms
Oxyberberine549-21-3Ketoberberine9,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydro-8-berbinone8-BERBINONE, 13,13a-DIDEHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-DTXSID7020338916,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one16,17-dimethoxy-5,7-dioxa-13-azapentacyclo(11.8.0.02,10.04,8.015,20)henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-oneRefChem:1094089DTXCID20125880Berlambine8-Oxyberberine
Show more names
OverbearingBerberin-8-oneBERLAMBINE(RG)(CALL)
Oxyberberin8-OxoberberineJKL 1073AJKL-1073ANSC931384A04YKB3FTBerlambine; 8-Oxoberberine; KetoberberineNSC-93138
Database identifiers
- CAS
549-21-3
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 607
Physicochemical properties
- Melting point
- 200 · 200-201℃
- Boiling point
- 611.5 · 611.5±55.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3 (20 ºC 760 Torr)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -1.62 · -1.62±0.20(Predicted)
- color
- Pale Yellow to Yellow
- FDA UNII
- 4 A04YKB3FT · 4A04YKB3FT
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
UsesOxyberberin is a naturally occurring isoquinoline alkaloid shown to inhibit lipoxygenase and provide antioxidant activity.
Suppliers95 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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]
銘瑞集團有限公司17318633522 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Aladdin Scientific[email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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