Basic information
- CAS
66280-25-9- Standard SMILES
COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)CC(C)C(C)C2- InChIKey
PICOUNAPKDEPCA-UHFFFAOYSA-N- Molecular formula
- C22H28O6
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.18858861
Overview
1,2,11,12-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene-3,10-diol is a tannin.
Names & identifiers
- Preferred name
- 1,2,11,12-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene-3,10-diol
- IUPAC
- 3,4,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,14-diol
- English name
- gomisin J
- Molecular formula
- C22H28O6
- Molecular weight
- 388.45
Names & synonyms
1,2,11,12-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene-3,10-diol3,4,15,16-Tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,14-diolMFCD29048562orb1303584CHEBI:181529(6R,7S,12aS)-5,6,7,8-Tetrahydro-1,2,11,12-tetramethoxy-6,7-dimethyldibenzo[a,c]cyclooctene-3,10-diolHY-N0385EBC-615576AS-83226NCGC00385217-01!CS-0008925B0005-447195
Show more names
gomisin JGomisin J, 10 mM in DMSO(6R,7S)-1,2,11,12-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahyd...(6R,7S)-1,2,11,12-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene-3,10-diol(6R,7S,12AS)-1,2,11,12-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene-3,10-diolDibenzo[a,c]cyclooctene-3,10-diol, 5,6,7,8-tetrahydro-1,2,11,12-tetramethoxy-6,7-dimethyl-, (6R,7S,12aS)-
3,4,15,16-tetramethoxy-9,10-dimethyl-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,14-diol3,4,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.0,2,7]hexadeca-1(12),2,4,6,13,15-hexaene-5,14-diol
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Melting point
- 148 · 148-149℃
- Boiling point
- 587.5 · 587.5±50.0 °C(Predicted)
- Density
- 1.161 · 1.161
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 8.97 · 8.97±0.60(Predicted)
- color
- White to off-white
- FDA UNII
- 13 A57600T · X13A57600T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesGomisin J is a promising drug for anti-ovarian cancer utilization. Also, it exhibits strong inhibition towards the glucuronidation of SN-8.
Suppliers100 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]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [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]
成都市久鼎化学技术有限公司18584079237 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…