Phenylpropanoider og polyketider
Filtrerede søgeresultater
Rifabutin, 98%, Thermo Scientific Chemicals
CAS: 72559-06-9 Molekylær formel: C46H62N4O11 Molekylvægt (g/mol): 847.02 MDL nummer: MFCD00866816 InChI nøgle: ATEBXHFBFRCZMA-VXTBVIBXSA-N Synonym: rifabutin,ansamycin,rifabutine,mycobutin,ansatipine,ansatipin,alfacid,rifabutina,rifabutinum,antibiotic lm 427 PubChem CID: 57448257 IUPAC navn: (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2,2-methyl-1'-(2,3-methyl) oxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,7.0⁵,³¹.0²⁶,³ ⁰]tritriacontan-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetat SMIL: CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC(C)C)CC5)N=C1C4=C3C2=O
| MDL nummer | MFCD00866816 |
|---|---|
| PubChem CID | 57448257 |
| Molekylvægt (g/mol) | 847.02 |
| CAS | 72559-06-9 |
| Synonym | rifabutin,ansamycin,rifabutine,mycobutin,ansatipine,ansatipin,alfacid,rifabutina,rifabutinum,antibiotic lm 427 |
| SMIL | CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC(C)C)CC5)N=C1C4=C3C2=O |
| IUPAC navn | (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2,2-methyl-1'-(2,3-methyl) oxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,7.0⁵,³¹.0²⁶,³ ⁰]tritriacontan-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetat |
| InChI nøgle | ATEBXHFBFRCZMA-VXTBVIBXSA-N |
| Molekylær formel | C46H62N4O11 |
3-(4-Bromophenyl)propionic acid, 97%, Thermo Scientific Chemicals
CAS: 1643-30-7 MDL nummer: MFCD01310793 InChI nøgle: NCSTWHYWOVZDOC-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm PubChem CID: 2735609 IUPAC navn: 3-(4-bromphenyl)propansyre SMIL: C1=CC(=CC=C1CCC(=O)O)Br
| MDL nummer | MFCD01310793 |
|---|---|
| PubChem CID | 2735609 |
| CAS | 1643-30-7 |
| Synonym | 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm |
| SMIL | C1=CC(=CC=C1CCC(=O)O)Br |
| IUPAC navn | 3-(4-bromphenyl)propansyre |
| InChI nøgle | NCSTWHYWOVZDOC-UHFFFAOYSA-N |
Quercetinhydrat, 95%, Thermo Scientific Chemicals
CAS: 849061-97-8 Molekylær formel: C15H10O7 Molekylvægt (g/mol): 302.24 MDL nummer: MFCD03847906 InChI nøgle: REFJWTPEDVJJIY-UHFFFAOYSA-N Synonym: quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate PubChem CID: 16212154 IUPAC navn: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-on;hydrat SMIL: OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1
| MDL nummer | MFCD03847906 |
|---|---|
| PubChem CID | 16212154 |
| Molekylvægt (g/mol) | 302.24 |
| CAS | 849061-97-8 |
| Synonym | quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate |
| SMIL | OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1 |
| IUPAC navn | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-on;hydrat |
| InChI nøgle | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| Molekylær formel | C15H10O7 |
Daidzin, 98%, Thermo Scientific Chemicals
CAS: 552-66-9 Molekylær formel: C21H20O9 Molekylvægt (g/mol): 416.38 MDL nummer: MFCD00017466 InChI nøgle: KYQZWONCHDNPDP-QNDFHXLGSA-N Synonym: daidzin,daidzoside,daidzein 7-o-glucoside,daidzein 7-glucoside,daidzein-7-glucoside,daidzein 7-o-beta-d-glucoside,unii-4r2x91a5m5,daidzein-7-o-glucoside,7-beta-d-glucopyranosyloxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,7-o-b-d-glucopyranoside PubChem CID: 107971 ChEBI: CHEBI:42202 IUPAC navn: 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-on SMIL: OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
| MDL nummer | MFCD00017466 |
|---|---|
| PubChem CID | 107971 |
| Molekylvægt (g/mol) | 416.38 |
| CAS | 552-66-9 |
| ChEBI | CHEBI:42202 |
| Synonym | daidzin,daidzoside,daidzein 7-o-glucoside,daidzein 7-glucoside,daidzein-7-glucoside,daidzein 7-o-beta-d-glucoside,unii-4r2x91a5m5,daidzein-7-o-glucoside,7-beta-d-glucopyranosyloxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,7-o-b-d-glucopyranoside |
| SMIL | OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
| IUPAC navn | 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-on |
| InChI nøgle | KYQZWONCHDNPDP-QNDFHXLGSA-N |
| Molekylær formel | C21H20O9 |
Isobutylmagnesiumchlorid, 2M opløsning i diethylether, AcroSeal™ , Thermo Scientific Chemicals
CAS: 5674-02-2 Molekylvægt (g/mol): 116.87 MDL nummer: MFCD00000471 ChEBI: CHEBI:75272
| MDL nummer | MFCD00000471 |
|---|---|
| Molekylvægt (g/mol) | 116.87 |
| CAS | 5674-02-2 |
| ChEBI | CHEBI:75272 |
Acetylsalicylsalicylsyre, 97%, Thermo Scientific Chemicals
CAS: 530-75-6 Molekylær formel: C16H12O6 Molekylvægt (g/mol): 300.26 MDL nummer: MFCD00143537 InChI nøgle: DDSFKIFGAPZBSR-UHFFFAOYSA-N Synonym: 2-2-acetoxybenzoyl oxy benzoic acid,acetylsalicylsalicylic acid,acesalum,acetylsalicylsalicyic acid,diplosal acetate,unii-vbe72mcp5l,2-carboxyphenyl 2-acetyloxy benzoate,diplosalsalate,ccris 1740,benzoic acid, 2-acetyloxy-, 2-carboxyphenyl ester PubChem CID: 10745 IUPAC navn: 2-(2-acetyloxybenzoyl)oxybenzoesyre SMIL: CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)O
| MDL nummer | MFCD00143537 |
|---|---|
| PubChem CID | 10745 |
| Molekylvægt (g/mol) | 300.26 |
| CAS | 530-75-6 |
| Synonym | 2-2-acetoxybenzoyl oxy benzoic acid,acetylsalicylsalicylic acid,acesalum,acetylsalicylsalicyic acid,diplosal acetate,unii-vbe72mcp5l,2-carboxyphenyl 2-acetyloxy benzoate,diplosalsalate,ccris 1740,benzoic acid, 2-acetyloxy-, 2-carboxyphenyl ester |
| SMIL | CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)O |
| IUPAC navn | 2-(2-acetyloxybenzoyl)oxybenzoesyre |
| InChI nøgle | DDSFKIFGAPZBSR-UHFFFAOYSA-N |
| Molekylær formel | C16H12O6 |
Scopoletin, 95 %, Thermo Scientific Chemicals
CAS: 92-61-5 Molekylær formel: C10H8O4 Molekylvægt (g/mol): 192.17 MDL nummer: MFCD00006872 InChI nøgle: RODXRVNMMDRFIK-UHFFFAOYSA-N Synonym: scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin PubChem CID: 5280460 ChEBI: CHEBI:17488 IUPAC navn: 7-hydroxy-6-methoxychromen-2-on SMIL: COC1=C(C=C2C(=C1)C=CC(=O)O2)O
| MDL nummer | MFCD00006872 |
|---|---|
| PubChem CID | 5280460 |
| Molekylvægt (g/mol) | 192.17 |
| CAS | 92-61-5 |
| ChEBI | CHEBI:17488 |
| Synonym | scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin |
| SMIL | COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
| IUPAC navn | 7-hydroxy-6-methoxychromen-2-on |
| InChI nøgle | RODXRVNMMDRFIK-UHFFFAOYSA-N |
| Molekylær formel | C10H8O4 |
Salicylsalicylsyre, 98%, Thermo Scientific Chemicals
CAS: 552-94-3 Molekylær formel: C14H10O5 Molekylvægt (g/mol): 258.22 MDL nummer: MFCD00020252 InChI nøgle: WVYADZUPLLSGPU-UHFFFAOYSA-N Synonym: salsalate,sasapyrine,salicylsalicylic acid,disalicylic acid,disalcid,sasapyrinum,saloxium,2-carboxyphenyl salicylate,salina,diacesal PubChem CID: 5161 ChEBI: CHEBI:9014 IUPAC navn: 2-(2-hydroxybenzoyl)oxybenzoesyre SMIL: C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O
| MDL nummer | MFCD00020252 |
|---|---|
| PubChem CID | 5161 |
| Molekylvægt (g/mol) | 258.22 |
| CAS | 552-94-3 |
| ChEBI | CHEBI:9014 |
| Synonym | salsalate,sasapyrine,salicylsalicylic acid,disalicylic acid,disalcid,sasapyrinum,saloxium,2-carboxyphenyl salicylate,salina,diacesal |
| SMIL | C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O |
| IUPAC navn | 2-(2-hydroxybenzoyl)oxybenzoesyre |
| InChI nøgle | WVYADZUPLLSGPU-UHFFFAOYSA-N |
| Molekylær formel | C14H10O5 |
Phloretin, 98%, Thermo Scientific Chemicals
CAS: 60-82-2 Molekylær formel: C15H14O5 Molekylvægt (g/mol): 274.27 MDL nummer: MFCD00002288 InChI nøgle: VGEREEWJJVICBM-UHFFFAOYSA-N Synonym: phloretin,dihydronaringenin,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl propan-1-one,phloretol,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl-1-propanone,unii-s5j5oe47mk,1-propanone, 3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl,ccris 7459,beta-p-hydroxyphenyl phloropropiophenone,2',4',6'-trihydroxy-3-p-hydroxyphenyl propiophenone PubChem CID: 4788 ChEBI: CHEBI:17276 IUPAC navn: 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-on SMIL: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
| MDL nummer | MFCD00002288 |
|---|---|
| PubChem CID | 4788 |
| Molekylvægt (g/mol) | 274.27 |
| CAS | 60-82-2 |
| ChEBI | CHEBI:17276 |
| Synonym | phloretin,dihydronaringenin,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl propan-1-one,phloretol,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl-1-propanone,unii-s5j5oe47mk,1-propanone, 3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl,ccris 7459,beta-p-hydroxyphenyl phloropropiophenone,2',4',6'-trihydroxy-3-p-hydroxyphenyl propiophenone |
| SMIL | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O |
| IUPAC navn | 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-on |
| InChI nøgle | VGEREEWJJVICBM-UHFFFAOYSA-N |
| Molekylær formel | C15H14O5 |
4-Hydroxyphenylbenzoat, 98 %, Thermo Scientific Chemicals
CAS: 2444-19-1 Molekylær formel: C13H10O3 Molekylvægt (g/mol): 214.22 MDL nummer: MFCD00053304 InChI nøgle: JFAXJRJMFOACBO-UHFFFAOYSA-N Synonym: hydroquinone monobenzoate,p-hydroxyphenyl benzoate,unii-zcy7o225cp,4-benzoyloxyphenol,1,4-diphenol, 1-benzoate,benzoic acid 4-hydroxyphenyl ester,4-hydroxyphenyl benzoate,zcy7o225cp,4-hydroxyphenylbenzoate,4-hydroxyphenylbenzoat PubChem CID: 75549 IUPAC navn: (4-hydroxyphenyl)benzoat SMIL: OC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1
| MDL nummer | MFCD00053304 |
|---|---|
| PubChem CID | 75549 |
| Molekylvægt (g/mol) | 214.22 |
| CAS | 2444-19-1 |
| Synonym | hydroquinone monobenzoate,p-hydroxyphenyl benzoate,unii-zcy7o225cp,4-benzoyloxyphenol,1,4-diphenol, 1-benzoate,benzoic acid 4-hydroxyphenyl ester,4-hydroxyphenyl benzoate,zcy7o225cp,4-hydroxyphenylbenzoate,4-hydroxyphenylbenzoat |
| SMIL | OC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1 |
| IUPAC navn | (4-hydroxyphenyl)benzoat |
| InChI nøgle | JFAXJRJMFOACBO-UHFFFAOYSA-N |
| Molekylær formel | C13H10O3 |
7-amino-4-methylcoumarin, 98 %, Thermo Scientific Chemicals
CAS: 26093-31-2 Molekylær formel: C10H9NO2 Molekylvægt (g/mol): 175.19 MDL nummer: MFCD00006868 InChI nøgle: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC navn: 7-amino-4-methylchromen-2-on SMIL: CC1=CC(=O)OC2=CC(N)=CC=C12
| MDL nummer | MFCD00006868 |
|---|---|
| PubChem CID | 92249 |
| Molekylvægt (g/mol) | 175.19 |
| CAS | 26093-31-2 |
| ChEBI | CHEBI:51771 |
| Synonym | 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x |
| SMIL | CC1=CC(=O)OC2=CC(N)=CC=C12 |
| IUPAC navn | 7-amino-4-methylchromen-2-on |
| InChI nøgle | GLNDAGDHSLMOKX-UHFFFAOYSA-N |
| Molekylær formel | C10H9NO2 |
4-(trifluormethyl)hydrokanelsyre, 95 %, Thermo Scientific Chemicals
CAS: 53473-36-2 Molekylær formel: C10H9F3O2 Molekylvægt (g/mol): 218.17 MDL nummer: MFCD00674032 InChI nøgle: OEIUMLSCWINLBB-UHFFFAOYSA-N Synonym: 4-trifluoromethyl hydrocinnamic acid,3-4-trifluoromethyl phenyl propanoic acid,3-4-trifluoromethyl phenyl propionic acid,benzenepropanoic acid, 4-trifluoromethyl,3-4-trifluoromethylphenyl propionic acid,4-trifluoromethyl phenylpropionic acid,p-trifluoromethyl benzylacetic acid,3-4-trifluoromethyl-phenyl-propionic acid PubChem CID: 3588736 IUPAC navn: 3-[4-(trifluormethyl)phenyl]propansyre SMIL: C1=CC(=CC=C1CCC(=O)O)C(F)(F)F
| MDL nummer | MFCD00674032 |
|---|---|
| PubChem CID | 3588736 |
| Molekylvægt (g/mol) | 218.17 |
| CAS | 53473-36-2 |
| Synonym | 4-trifluoromethyl hydrocinnamic acid,3-4-trifluoromethyl phenyl propanoic acid,3-4-trifluoromethyl phenyl propionic acid,benzenepropanoic acid, 4-trifluoromethyl,3-4-trifluoromethylphenyl propionic acid,4-trifluoromethyl phenylpropionic acid,p-trifluoromethyl benzylacetic acid,3-4-trifluoromethyl-phenyl-propionic acid |
| SMIL | C1=CC(=CC=C1CCC(=O)O)C(F)(F)F |
| IUPAC navn | 3-[4-(trifluormethyl)phenyl]propansyre |
| InChI nøgle | OEIUMLSCWINLBB-UHFFFAOYSA-N |
| Molekylær formel | C10H9F3O2 |