Isoprosopilosine

Compound Structure:

Synonyms:

(2R,3S,6R)-6-[10-[(8R,8aS)-6-[10-[(2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]decyl]-1,2,3,5,8,8a-hexahydroindolizin-8-yl]decyl]-2-methylpiperidin-3-ol; Isoprosopilosine.

Compound ID:

NMPC-1165

PubChem ID:

70693912

Molecular Formula:

C40H75N3O2

Canonical SMILES:

CC1C(CCC(N1)CCCCCCCCCCC2C=C(CN3C2CCC3)CCCCCCCCCCC4CCC(C(N4)C)O)O

InChIKey:

JOTBJXJGDRSICD-OCLHHUPTSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	630.0 g/mol
XLogP3-AA	10.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	22
Exact Mass	629.58592864 g/mol
Monoisotopic Mass	629.58592864 g/mol
Topological Polar Surface Area	67.8Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	804
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
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:

Piliostigma reticulatum
Prosopis africana

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