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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