Dihydrochelirubine
PubChem CID: 440589
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| Compound Synonyms | Dihydrochelirubine, 28342-26-9, CHEBI:17789, DTXSID00331503, 15-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21-octaene, 13,14-Dihydro-5-methoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine, 5-methoxy-13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine, 13, 14-dihydro-5-methoxy-13-methyl-[1, 3]benzodioxolo[5, 6-c]-1, 3-dioxolo[4, 5-i]phenanthridine, 13, 14-dihydro-5-methoxy-13-methyl-(1, 3)benzodioxolo(5, 6-c)-1, 3-dioxolo(4, 5-i)phenanthridine, 13,14-Dihydro-5-methoxy-13-methyl-(1,3)benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridine, 15-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo(11.11.0.02,10.04,8.014,22.017,21)tetracosa-1(13),2,4(8),9,11,14,16,21-octaene, 5-methoxy-13-methyl-13,14-dihydro-2H,10H-(1,3)dioxolo(4,5-i)(1,3)dioxolo(4',5':4,5)benzo(1,2-c)phenanthridine, C05194, SCHEMBL891981, CHEMBL518879, DTXCID10282597, HY-N10366, CS-0434734, Q3707626 |
|---|---|
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | JPXUJRDPZQUCNV-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Compound Name | Dihydrochelirubine |
| Exact Mass | 363.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 363.111 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 575.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 363.4 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21-octaene |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C21H17NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-7H,8-10H2,1-2H3 |
| Smiles | CN1CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3 |
| Xlogp | 4.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C21H17NO5 |
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