| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 13 | Yes |
Popular Name: 7-Methoxycoumarin 7-Methoxycoumarin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 359436-90-1 , 531-59-9 , [531-59-9]
531-59-9; 7-Methoxycoumarin; C09268; Herniarin
7-Methoxycoumarin-4-acetyl-L-proline
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.05 | 5.3 | -12.96 | 0 | 3 | 0 | 39 | 176.171 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 117 - 121 | Acros Organics |
| Melting_Point | 117-120? | Alfa-Aesar |
| Melting_Point | 117-120° | Alfa-Aesar |
| MP | 118 | TCI |
| MP | 118-120° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| UniProt Database Links | ANGS_PASSA; CHIL3_MOUSE; EST1_HUMAN; EST2_HUMAN; ESTD_HUMAN; PMAT1_ARATH; PMAT2_ARATH; UD11_HUMAN; UD16_MOUSE; UD16_RABIT; UD2B4_HUMAN; UDB13_RABIT; UDB15_RAT; UDB16_RABIT; UDB17_HUMAN; UGAT_BELPE | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1-12-E | Carbonic Anhydrase I (cluster #12 Of 12), Eukaryotic | Eukaryotes | 5900 | 0.56 | Binding ≤ 10μM |
| CAH12-2-E | Carbonic Anhydrase XII (cluster #2 Of 9), Eukaryotic | Eukaryotes | 9700 | 0.54 | Binding ≤ 10μM |
| CAH13-7-E | Carbonic Anhydrase XIII (cluster #7 Of 7), Eukaryotic | Eukaryotes | 8900 | 0.54 | Binding ≤ 10μM |
| CAH14-4-E | Carbonic Anhydrase XIV (cluster #4 Of 8), Eukaryotic | Eukaryotes | 9000 | 0.54 | Binding ≤ 10μM |
| CAH15-4-E | Carbonic Anhydrase 15 (cluster #4 Of 6), Eukaryotic | Eukaryotes | 8400 | 0.55 | Binding ≤ 10μM |
| CAH4-14-E | Carbonic Anhydrase IV (cluster #14 Of 16), Eukaryotic | Eukaryotes | 8300 | 0.55 | Binding ≤ 10μM |
| CAH5A-6-E | Carbonic Anhydrase VA (cluster #6 Of 10), Eukaryotic | Eukaryotes | 5100 | 0.57 | Binding ≤ 10μM |
| CAH6-8-E | Carbonic Anhydrase VI (cluster #8 Of 8), Eukaryotic | Eukaryotes | 5500 | 0.57 | Binding ≤ 10μM |
| CAH7-8-E | Carbonic Anhydrase VII (cluster #8 Of 8), Eukaryotic | Eukaryotes | 2400 | 0.61 | Binding ≤ 10μM |
| CAH9-11-E | Carbonic Anhydrase IX (cluster #11 Of 11), Eukaryotic | Eukaryotes | 9800 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH15_MOUSE | Q99N23 | Carbonic Anhydrase 15, Mouse | 8400 | 0.55 | Binding ≤ 10μM |
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 5900 | 0.56 | Binding ≤ 10μM |
| CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 8300 | 0.55 | Binding ≤ 10μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 9800 | 0.54 | Binding ≤ 10μM |
| CAH5A_HUMAN | P35218 | Carbonic Anhydrase VA, Human | 5100 | 0.57 | Binding ≤ 10μM |
| CAH6_HUMAN | P23280 | Carbonic Anhydrase VI, Human | 5500 | 0.57 | Binding ≤ 10μM |
| CAH7_HUMAN | P43166 | Carbonic Anhydrase VII, Human | 2400 | 0.61 | Binding ≤ 10μM |
| CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 9700 | 0.54 | Binding ≤ 10μM |
| CAH13_MOUSE | Q9D6N1 | Carbonic Anhydrase XIII, Mouse | 8900 | 0.54 | Binding ≤ 10μM |
| CAH14_HUMAN | Q9ULX7 | Carbonic Anhydrase XIV, Human | 9000 | 0.54 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Erythrocytes take up carbon dioxide and release oxygen | |
| Erythrocytes take up oxygen and release carbon dioxide | |
| Regulation of gene expression by Hypoxia-inducible Factor | |
| Reversible hydration of carbon dioxide |
