Molecule

Lochnericine

AlkaPlorer ID: AK003547

Synonym: None

IUPAC Name: methyl (1R,12S,13R,15S,20R)-12-ethyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate

Structure

SMILES: CC[C@@]12CC(C(=O)OC)=C3NC4=CC=CC=C4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24

InChI: InChI=1S/C21H24N2O3/c1-3-20-10-12(18(24)25-2)16-21(13-6-4-5-7-14(13)22-16)8-9-23(19(20)21)11-15-17(20)26-15/h4-7,15,17,19,22H,3,8-11H2,1-2H3/t15-,17-,19-,20+,21-/m0/s1

InChIKey: AUVZFRDLRJQTQF-KXEYLTKFSA-N

Reference

Alkaloids of the stem bark of Alstonia lanceolifera

PubChem CID: 11382599

LOTUS: LTS0135814

SuperNatural Ⅲ: SN0016017-04

NPASS: NPC159963

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Holacantha emoryi	Holacantha	Simaroubaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dorstenia zenkeri	Dorstenia	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lobelia chinensis	Lobelia	Campanulaceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Melodinus suaveolens	Melodinus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Catharanthus roseus	Catharanthus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 352.4340000000001

TPSA？: 54.1

MolLogP？: 2.4324000000000003

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	40000.0	nM	10.1021/np2009169
Homo sapiens	HL-60	IC50	15500.0	nM	10.1021/np2009169
Homo sapiens	MCF7	IC50	40000.0	nM	10.1021/np2009169
Homo sapiens	SMMC-7721	IC50	24700.0	nM	10.1021/np2009169
Homo sapiens	SW480	IC50	40000.0	nM	10.1021/np2009169