Molecule

Pericyclivine

AlkaPlorer ID: AK001962

Synonym: None

IUPAC Name: methyl (1S,12S,13S,14S,15E)-15-ethylidene-7-hydroxy-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7,16-pentaene-13-carboxylate

Structure

SMILES: C/C=C\1/C=[N+]2[C@H]3C[C@H]1[C@@H]([C@@H]2CC4=C3NC5=C4C=C(C=C5)O)C(=O)OC

InChI: InChI=1S/C20H20N2O3/c1-3-10-9-22-16-8-14-13-6-11(23)4-5-15(13)21-19(14)17(22)7-12(10)18(16)20(24)25-2/h3-6,9,12,16-18,21H,7-8H2,1-2H3/p+1/b10-3-/t12-,16+,17+,18+/m1/s1

InChIKey: BDTIUXPVZCDCDF-YWNMGZTBSA-O

Reference

An update review on monoterpene indole alkaloids and biological activities of Tabernaemontana species occurring in Brazil

PubChem CID: 6473772

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Tabernaemontana pachysiphon	Tabernaemontana	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Catharanthus lanceus	Catharanthus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Catharanthus roseus	Catharanthus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Catharanthus ovalis	Catharanthus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 337.39900000000006

TPSA？: 65.33

MolLogP？: 2.6916

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Human immunodeficiency virus 1	Human immunodeficiency virus type 1 reverse transcriptase	IC50	200.0	ug.mL-1	10.1021/np50073a012