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74048-71-8 molecular structure
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(4S)-4-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4,5-dimethoxy-2-(prop-2-en-1-yl)cyclohexa-2,5-dien-1-one

ChemBase ID: 305582
Molecular Formular: C22H28O5
Molecular Mass: 372.45472
Monoisotopic Mass: 372.193674
SMILES and InChIs

SMILES:
C1(=CC(=O)C(=C[C@]1([C@H](C)Cc1cc(c(cc1)OC)OC)OC)CC=C)OC
Canonical SMILES:
C=CCC1=C[C@](OC)(C(=CC1=O)OC)[C@@H](Cc1ccc(c(c1)OC)OC)C
InChI:
InChI=1S/C22H28O5/c1-7-8-17-14-22(27-6,21(26-5)13-18(17)23)15(2)11-16-9-10-19(24-3)20(12-16)25-4/h7,9-10,12-15H,1,8,11H2,2-6H3/t15-,22-/m1/s1
InChIKey:
MVOMQPWLJRZYDT-IVZQSRNASA-N

Cite this record

CBID:305582 http://www.chembase.cn/molecule-305582.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4S)-4-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4,5-dimethoxy-2-(prop-2-en-1-yl)cyclohexa-2,5-dien-1-one
IUPAC Traditional name
(4S)-4-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4,5-dimethoxy-2-(prop-2-en-1-yl)cyclohexa-2,5-dien-1-one
Synonyms
Lancifolin C
CAS Number
74048-71-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP02130
Data Source Data ID Price
BioBioPha
BBP02130 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9058464  LogD (pH = 7.4) 3.9058464 
Log P 3.9058464  Molar Refractivity 108.0496 cm3
Polarizability 41.07239 Å3 Polar Surface Area 53.99 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Oil expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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