Molecule

methyl (15Z)-15-ethylidene-17-formyl-12-oxo-10,17-diazatetracyclo[12.3.1.0³,¹¹.0?,?]octadeca-3(11),4,6,8-tetraene-18-carboxylate

AlkaPlorer ID: AK466561

Synonym: None

IUPAC Name: methyl (1S,14R,15E,18S)-15-ethylidene-17-formyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate

Structure

SMILES: C/C=C1/CN(C=O)[C@H]2CC3=C(NC4=CC=CC=C34)C(=O)C[C@@H]1[C@@H]2C(=O)OC

InChI: InChI=1S/C21H22N2O4/c1-3-12-10-23(11-24)17-8-15-13-6-4-5-7-16(13)22-20(15)18(25)9-14(12)19(17)21(26)27-2/h3-7,11,14,17,19,22H,8-10H2,1-2H3/b12-3-/t14-,17-,19-/m0/s1

InChIKey: NHUKMNGLSAXGDK-HROPKPTCSA-N

Reference

Structure Elucidation and Chemistry of Catharanthus Alkaloids II. Isolation and Partial Structure of Catharine, a Dimeric Indole Alkaloid From C. Zanceus and C. Roseus

PubChem CID: 11969538

CAS: 2779-18-2

LOTUS: LTS0044767

Source

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

Properties Information

Molecule Weight: 366.41700000000014

TPSA？: 79.47000000000001

MolLogP？: 2.4891000000000005

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

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