Pleiocarpamine
Basic information
- CAS
6393-66-4- Standard SMILES
C/C=C1/CN2CCc3c4n(c5ccccc35)[C@H](C(=O)OC)[C@H]1C[C@@H]42- InChIKey
NTMOAQDHNZYZMZ-QWCNWJGKSA-N- Molecular formula
- C20H22N2O2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.16812795
Overview
Pleiocarpamine is a monoterpenoid indole alkaloid.
Names & identifiers
- Preferred name
- Pleiocarpamine
- IUPAC
- methyl (13E,14S,16S,18S)-13-ethylidene-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene-18-carboxylate
- English name
- pleiocarpamine
- Molecular formula
- C20H22N2O2
- Molecular weight
- 322.4
Names & synonyms
Pleiocarpamine6393-66-44J3PV95ANLNSC-374523DTXSID80419616methyl (13E,14S,16S,18S)-13-ethylidene-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene-18-carboxylatemethyl (13E,14S,16S,18S)-13-ethylidene-1,11-diazapentacyclo(12.3.1.02,7.08,17.011,16)octadeca-2,4,6,8(17)-tetraene-18-carboxylateRefChem:174849DTXCID10370463UNII-4J3PV95ANLPLEOCARPAMINENSC 374523
Show more names
(16S,19E)-19,20-Didehydro-1,16-cyclocorynan-17-oic acid methyl ester2H-2,12-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (2S,3E,12bS,13S)-
(16S,19E)-17-methoxy-17-oxo-19,20-didehydro-1,16-cyclocorynan(+)-PLEIOCARPAMINECHEMBL3338254CHEBI:141939NSC374523Methyl (16S,19E)-1,16-cyclocoryn-19-en-17-oateQ154252592H-2,12-METHANOINDOLO(2,3-A)QUINOLIZINE-13-CARBOXYLIC ACID, 3-ETHYLIDENE-1,3,4,6,7,12B-HEXAHYDRO-, METHYL ESTER, (2S,3E,12BS,13S)-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 574
Physicochemical properties
- Melting point
- 159 °C · 159°C
- Boiling point
- 492 · 492.0±45.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 7.67 · 7.67±0.40(Predicted)
- FDA UNII
- 4 J3PV95ANL · 4J3PV95ANL
Chemistry & industry
Applications
DescriptionThis carboline alkaloid is present in the bark of Hunteria eburnea Pichon and the roots of Pleiocarpa rnutica Benth. The ultraviolet spectrum has absorption maxima at 230 and 285 mil and the alkaloid is dextrorotatory with [α]21D + 136° (c 0.74, MeOH).
Additional notes
DefinitionChEBI: Pleiocarpamine is a monoterpenoid indole alkaloid.
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