Molecule

Rauniticine

AlkaPlorer ID: AK000648

Synonym: None

IUPAC Name: methyl (1S,15S,16R,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate

Structure

SMILES: COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12

InChI: InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15+,16+,19+/m1/s1

InChIKey: GRTOGORTSDXSFK-OYWVLEMYSA-N

Reference

Development of an efficient system for the separation of indole alkaloids by high performance liquid chromatography and its applications

PubChem CID: 72338

CAS: 5299-09-2

LOTUS: LTS0257051

NPASS: NPC128265

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Drymonia macrophylla	Drymonia	Gesneriaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cestrum parqui	Cestrum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Klasea quinquefolia	Klasea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fusarium caucasicum	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Capsicum annuum	Capsicum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Haplopappus paucidentatus	Haplopappus	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ruta oreojasme	Ruta	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ostrinia nubilalis	Ostrinia	Crambidae	Lepidoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Lomatia ilicifolia	Lomatia	Proteaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dictyostelium purpureum	Dictyostelium	Dictyosteliaceae	Dictyosteliales	Eumycetozoa	Evosea	None	Eukaryota
Gentiana pyrenaica	Gentiana	Gentianaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Talaromyces funiculosus	Talaromyces	Trichocomaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Bambusa chungii	Bambusa	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gloxinia erinoides	Gloxinia	Gesneriaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rumex chalepensis	Rumex	Polygonaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces roseoviolaceus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Agaricus arvensis	Agaricus	Agaricaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Uncaria elliptica	Uncaria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Uncaria lanosa	Uncaria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Uncaria attenuata	Uncaria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lomatia arborescens	Lomatia	Proteaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rauvolfia nitida	Rauvolfia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Monostroma nitidum	Monostroma	Monostromataceae	Ulvales	Ulvophyceae	Chlorophyta	Viridiplantae	Eukaryota
Abrus pulchellus	Abrus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Brugmansia arborea	Brugmansia	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vinca major	Vinca	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 352.434

TPSA？: 54.56

MolLogP？: 3.1788000000000016

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 5

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