Basic information
- CAS
546-97-4- Standard SMILES
C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@H]2C=C[C@]1(O)C(=O)O2- InChIKey
AALLCALQGXXWNA-QJNFORGASA-N- Molecular formula
- C20H22O6
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.14163842
Overview
Columbin is an organic heterotricyclic compound and an organooxygen compound.
Names & identifiers
- Preferred name
- Tinosporin
- IUPAC
- (1R,2S,3S,5S,8R,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
- English name
- Columbin
- Molecular formula
- C20H22O6
- Molecular weight
- 358.39
Names & synonyms
(1R,2S,3S,5S,8R,11R,12R)-5-(Furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione(2S,4AR,6aR,7R,10R,10aS,10bS)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4a,5,6,6a,7,10,10a,10b-octahydro-1H-10,7-(epoxymethano)benzo[f]isochromene-4,12(2H)-dioneTinosporinColumbin (Standard)C09077CHEBI:3829orb1302352SCHEMBL2153783HY-N0389RDTXSID70969857HY-N0389MFCD02682955
Show more names
Columbin USP/EP/BPColumbin, 10 mM in DMSOColumbin >=95% (LC/MS-ELSD)Columbin, 98%, from limacia sagittata(1s,2s,3s,5s,8r,11r,12s)-5-(3-furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione(1R,4R,4aR,6aR,9S,10aS,10bS)-9-(3-Furanyl)decahydro-4-hydroxy-4a,10a-dimethyl-1,4-etheno-3H,7H-benzo[1,2-c:3,4-c']dipyran-3,7-dionediterpenoid,Cyclooxygenase,anti-inflammatory,COX-1,Inhibitor,Trypanosoma brucei,Columbin,furanolactone,COX,anti-trypanosomal,Parasite,inhibit
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 702
Physicochemical properties
- Melting point
- 190 · 190-191℃
- alpha
- 52.5 ° · D +52.5° (pyridine)
- Boiling point
- 410.82 °C · 410.82°C (rough estimate)
- Density
- 1.36 · 1.36
- refractive index
- 1.445 · 1.4450 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 0.03 mg/ml
- pka
- 12.14 · 12.14±0.70(Predicted)
- form
- Cryst.
- color
- White to off-white
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- InChIKey
- AALLCALQGXXWNA-QJNFORGASA-N
- SMILES
- C1(=O)O[C@H](C2C=COC=2)C[C@@]2(C)[C@@]3([H])[C@@](C)(CC[C@@]12[H])[C@]1(O)C=C[C@@]3([H])OC1=O
- FDA UNII
- 91 P85GE · KKI91P85GE
- UNSPSC Code
- 12352205 · 12352205
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
- hs_code
- 29322090
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesColumbin is a furanolactone diterpene isolated from the roots of Jateorhiza and Tinospora species and is used in Asian and African folk medicine for analgesic and antipyretic properties.
Upstream & downstream products
Downstream products
Suppliers100 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]
郑州汇聚化工有限公司0371-53399770 18037166334 · [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]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…