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(1S,16R)-4,5,16-trimethoxy-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,4,6,12,14-pentaen-11-one
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ChemBase ID:
304913
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Molecular Formular:
C19H21NO4
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Molecular Mass:
327.37434
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Monoisotopic Mass:
327.14705816
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SMILES and InChIs
SMILES:
c1(c(cc2c(c1)CCN1[C@@]32C[C@H](C=CC3=CC1=O)OC)OC)OC
Canonical SMILES:
CO[C@H]1C=CC2=CC(=O)N3[C@]2(C1)c1cc(OC)c(cc1CC3)OC
InChI:
InChI=1S/C19H21NO4/c1-22-14-5-4-13-9-18(21)20-7-6-12-8-16(23-2)17(24-3)10-15(12)19(13,20)11-14/h4-5,8-10,14H,6-7,11H2,1-3H3/t14-,19-/m0/s1
InChIKey:
AUDDBHVKKYSXKU-LIRRHRJNSA-N
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Cite this record
CBID:304913 http://www.chembase.cn/molecule-304913.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1S,16R)-4,5,16-trimethoxy-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,4,6,12,14-pentaen-11-one
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IUPAC Traditional name
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(1S,16R)-4,5,16-trimethoxy-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,4,6,12,14-pentaen-11-one
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Synonyms
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8-Oxoerysotrine
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Erysotramidine
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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1.311486
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LogD (pH = 7.4)
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1.3114867
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Log P
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1.3114867
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Molar Refractivity
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92.1954 cm3
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Polarizability
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34.852837 Å3
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Polar Surface Area
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48.0 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Bioassay(PubChem)
Apperance
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Oil
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent