Septicine

Septicine
Compound Structure:
Synonyms: septicine ;42922-10-1 ;(8aR)-6,7-bis(3,4-dimethoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizine; (R)-6,7-Bis(3,4-dimethoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizine; (R)-Septicine
Compound ID: NMPC-1477
PubChem ID:

10763252
Molecular Formula: C24H29NO4
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(CN3CCCC3C2)C4=CC(=C(C=C4)OC)OC)OC
InChIKey: MXMHNOVMTJDCLE-GOSISDBHSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

395.5 g/mol

XLogP3-AA

3.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

6

Exact Mass

395.20965841 g/mol

Monoisotopic Mass

395.20965841 g/mol

Topological Polar Surface Area

40.2Ų

Heavy Atom Count

29

Formal Charge

0

Complexity

579

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                      

                                                                                             
Source Species: Landolphia owariensis
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