Molecule

Pleiocarpamine

AlkaPlorer ID: AK051069

Synonym: '(+)-Pleiocarpamine'

IUPAC Name: 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

Structure

SMILES: C/C=C1/CN2CCC3=C4[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N4C1=CC=CC=C31

InChI: InChI=1S/C20H22N2O2/c1-3-12-11-21-9-8-14-13-6-4-5-7-16(13)22-18(14)17(21)10-15(12)19(22)20(23)24-2/h3-7,15,17,19H,8-11H2,1-2H3/b12-3-/t15-,17-,19-/m0/s1

InChIKey: NTMOAQDHNZYZMZ-QWCNWJGKSA-N

Reference

Indole alkaloids from leaves and stems of Hunteria zeylanica

PubChem CID: 5385014

CAS: 6393-66-4

LOTUS: LTS0052400

SuperNatural Ⅲ: SN0254866-07

NPASS: NPC143533

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Alstonia plumosa	Alstonia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Piper artanthe	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ursinia trifida	Ursinia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Alstonia angustifolia	Alstonia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Catharanthus roseus	Catharanthus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 322.408

TPSA？: 34.47

MolLogP？: 3.2344000000000017

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	KB	IC50	25.0	ug.mL-1	10.1021/np500439u
None	NON-PROTEIN TARGET	IC50	25.0	ug.mL-1	10.1021/np500439u
None	NON-PROTEIN TARGET	IC50	40000.0	nM	10.1021/np500439u