Akuammicinea

Compound Structure:

Synonyms:

Akuammicine;639-43-0;(-)-akuammicine;UNII-RG055O00BG;RG055O00BG;Methyl (19E)-2,16,19,20-tetradehydrocuran-17-oate;CHEBI:70499;Curan-17-oic acid, 2,16,19,20-tetradehydro-, methyl ester, (19E)-

Compound ID:

NMPC-564

PubChem ID:

10314057

Molecular Formula:

C20H22N2O2

Canonical SMILES:

CC=C1CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC

InChIKey:

AGZMFTKKLPHOMT-DUJTVWLASA-N

About the compound:

Akuammicine is a monoterpenoid indole alkaloid with formula C20H22N2O2, isolated from several plant species including Alstonia spatulata, Catharanthus roseus and Vinca major. It has a role as a plant metabolite. It is a methyl ester, a tertiary amino compound, an organic heteropentacyclic compound and a monoterpenoid indole alkaloid. It is a conjugate base of an akuammicine(1+).

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	322.4 g/mol
XLogP3-AA	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	322.168127949 g/mol
Monoisotopic Mass	322.168127949 g/mol
Topological Polar Surface Area	41.6Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	652
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Phaulopsis falcisepala

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